Sign In Join Free

Products Information

Carpropamid
Carpropamid ID: API-28926
CAS:104030-54-8
Supplier:APIchem

Get a quote


SMILES:ClC1(Cl)C(C1C)(CC)C(=O)NC(c1ccc(Cl)cc1)C	ChemMol.com
FORMULA: C15H18Cl3NO
MASS: 334.6685
EXACT MASS: 333.0453972
INTERATOMIC DISTANCES

             Cl   1     Cl   2     Cl   3      O   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    1.7320     0.0000 
  Cl   3    6.5724     7.5143     0.0000 
   O   4    3.6327     2.9094     6.0000     0.0000 
   N   5    2.9094     3.1197     4.5826     1.7320     0.0000 
   C   6    1.9318     1.4142     6.2450     1.7321     1.7321     0.0000 
   C   7    1.4142     1.9318     5.5982     2.3942     1.5060     1.0000 
   C   8    1.0000     1.0000     6.5928     2.7321     2.3942     1.0000 
   C   9    2.3942     1.0000     7.2111     2.0000     2.6458     1.0000 
   C  10    2.7321     2.3942     5.5678     1.0000     1.0000     1.0001 
   C  11    1.9318     2.9093     4.6981     2.9093     1.4143     1.9318 
   C  12    3.3859     1.9319     7.5498     1.7320     3.0000     1.7321 
   C  13    3.8982     4.0576     4.0000     2.0000     1.0000     2.6458 
   C  14    4.3814     4.8440     3.0000     3.0000     1.7320     3.4641 
   C  15    4.5747     4.3814     4.5826     1.7320     1.7320     3.0000 
   C  16    4.0576     4.8716     2.6457     3.6055     2.0000     3.6056 
   C  17    5.3785     5.7616     2.6457     3.6055     2.6457     4.3589 
   C  18    4.8440     5.8080     1.7320     4.5826     3.0000     4.5826 
   C  19    5.9940     6.5724     1.7320     4.5826     3.4641     5.1962 
   C  20    5.7616     6.5928     1.0000     5.0000     3.6055     5.2915 
   H  21    0.9304     2.0289     5.7228     3.0114     2.0212     1.5038 
   H  22    1.8747     0.4040     7.2796     2.5069     2.8114     1.0812 
   H  23    2.6595     0.9800     7.8279     2.5068     3.2657     1.5967 
   H  24    2.4104     3.0771     4.4372     2.4659     0.8310     1.8699 
   H  25    2.4104     3.5217     4.1630     3.3410     1.6848     2.5358 
   H  26    1.5564     2.8685     5.0224     3.4083     2.0195     2.1763 
   H  27    3.5075     1.8699     8.1225     2.3520     3.5505     2.1114 
   H  28    4.0028     2.5358     7.8169     1.8397     3.3533     2.2901 
   H  29    3.3757     2.1764     6.9853     1.1121     2.4825     1.5201 
   H  30    2.5563     3.1085     4.4187     2.2901     0.6201     1.8397 
   H  31    3.7041     3.6234     4.6200     1.3800     0.8743     2.2146 
   H  32    4.1798     3.8295     5.0675     1.1121     1.5200     2.4825 
   H  33    5.0484     4.6791     5.0104     1.8396     2.2900     3.3533 
   H  34    5.0154     4.9493     4.1339     2.3520     2.1114     3.5505 
   H  35    3.4720     4.3957     3.1408     3.4849     1.7733     3.2069 
   H  36    5.6786     5.8868     3.1407     3.4849     2.8291     4.4726 
   H  37    4.8368     5.9601     1.8397     5.0104     3.3533     4.8212 
   H  38    6.6020     7.1312     1.8396     5.0104     4.0130     5.7415 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.9318     1.4142     0.0000 
   C  10    1.4143     1.9319     1.7321     0.0000 
   C  11    1.0000     1.9318     2.9093     1.9319     0.0000 
   C  12    2.7321     2.3942     1.0001     2.0000     3.6327     0.0000 
   C  13    2.5036     3.3859     3.4641     1.7320     2.2361     3.6055 
   C  14    3.0881     4.0576     4.3589     2.6457     2.5036     4.5826 
   C  15    3.1623     3.8982     3.6056     2.0000     3.1196     3.4641 
   C  16    2.9672     3.9664     4.5826     3.0000     2.1298     5.0000 
   C  17    4.0665     5.0196     5.1962     3.4641     3.5026     5.2915 
   C  18    3.8823     4.8716     5.5678     4.0000     2.9672     6.0000 
   C  19    4.7754     5.7616     6.0828     4.3589     4.0665     6.2450 
   C  20    4.6981     5.6978     6.2450     4.5826     3.8476     6.5574 
   H  21    0.6200     1.0313     2.3053     2.0343     1.0312     3.2007 
   H  22    1.7618     0.9736     0.6200     2.0296     2.7605     1.5969 
   H  23    2.4655     1.7679     0.6200     2.3451     3.4606     1.0813 
   H  24    1.1766     2.1763     2.8685     1.5565     0.6200     3.4477 
   H  25    1.6200     2.5358     3.5217     2.4105     0.6200     4.2136 
   H  26    1.1766     1.8699     3.0771     2.4105     0.6200     3.9083 
   H  27    3.0890     2.5633     1.1766     2.5558     4.0433     0.6200 
   H  28    3.2837     3.0084     1.6200     2.3716     4.1394     0.6200 
   H  29    2.4809     2.3797     1.1767     1.4956     3.2883     0.6200 
   H  30    1.2564     2.2456     2.8292     1.4158     0.8310     3.3533 
   H  31    2.2905     3.0608     2.9436     1.2346     2.2844     3.0074 
   H  32    2.7898     3.4262     3.0148     1.4955     2.9307     2.8441 
   H  33    3.6494     4.3028     3.8242     2.3715     3.6973     3.5191 
   H  34    3.6036     4.4071     4.2047     2.5557     3.4124     4.0840 
   H  35    2.4675     3.4558     4.2029     2.7431     1.5622     4.7206 
   H  36    4.3144     5.2225     5.2330     3.5191     3.8686     5.2100 
   H  37    4.0302     4.9903     5.8193     4.3433     3.0585     6.3328 
   H  38    5.3636     6.3431     6.6018     4.8707     4.6776     6.7055 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.0000     1.7320     0.0000 
   C  16    1.7320     1.0000     2.6457     0.0000 
   C  17    1.7320     1.0000     2.0000     1.7320     0.0000 
   C  18    2.6457     1.7320     3.4641     1.0000     2.0000     0.0000 
   C  19    2.6457     1.7320     3.0000     2.0000     1.0000     1.7320 
   C  20    3.0000     2.0000     3.6055     1.7320     1.7320     1.0000 
   H  21    2.9937     3.4510     3.7272     3.1590     4.4481     3.9908 
   H  22    3.7220     4.5429     4.0024     4.6339     5.4395     5.5908 
   H  23    4.0761     4.9779     4.1712     5.1957     5.8077     6.1774 
   H  24    1.6177     1.9710     2.5050     1.7963     2.9683     2.7376 
   H  25    2.2844     2.2905     3.2512     1.7013     3.2598     2.4336 
   H  26    2.8552     3.0693     3.7361     2.5719     4.0613     3.2989 
   H  27    4.2047     5.1724     4.0840     5.5456     5.9014     6.5442 
   H  28    3.8242     4.8212     3.5191     5.3371     5.4428     6.3328 
   H  29    3.0148     4.0019     2.8441     4.4739     4.6842     5.4719 
   H  30    1.4158     1.8397     2.2901     1.7733     2.8292     2.7431 
   H  31    0.6200     1.6200     0.8743     2.2901     2.2901     3.2380 
   H  32    1.1766     2.1114     0.6200     2.9083     2.5558     3.8121 
   H  33    1.6199     2.2900     0.6200     3.2379     2.3716     4.0130 
   H  34    1.1766     1.5200     0.6200     2.5121     1.4956     3.1995 
   H  35    1.8397     1.4158     2.8292     0.6201     2.2901     1.4158 
   H  36    1.8396     1.4157     1.7732     2.2900     0.6200     2.6199 
   H  37    3.1408     2.2901     4.0130     1.4158     2.6200     0.6201 
   H  38    3.1407     2.2900     3.3533     2.6199     1.4158     2.2900 

              C  19      C  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0000     0.0000 
   H  21    5.0728     4.8789     0.0000 
   H  22    6.2748     6.3409     1.9800     0.0000 
   H  23    6.7003     6.8637     2.7557     0.7971     0.0000 
   H  24    3.6165     3.5243     1.4800     2.8534     3.4645     0.0000 
   H  25    3.6952     3.3619     1.5776     3.3801     4.0788     0.8768 
   H  26    4.5566     4.2375     0.8398     2.8049     3.5661     1.2400 
   H  27    6.8484     7.1345     3.4819     1.6344     0.8924     3.9272 
   H  28    6.4222     6.8179     3.7822     2.2129     1.6309     3.8935 
   H  29    5.6451     5.9890     3.0223     1.7881     1.5201     3.0198 
   H  30    3.5192     3.4849     1.6288     2.8610     3.4355     0.2165 
   H  31    3.2380     3.6200     2.8530     3.2637     3.5435     1.6838 
   H  32    3.5505     4.0750     3.3876     3.4417     3.5681     2.3486 
   H  33    3.3533     4.0601     4.2371     4.2855     4.3462     3.0899 
   H  34    2.4825     3.1879     4.1324     4.5784     4.7787     2.7933 
   H  35    2.6200     2.2901     2.5923     4.1891     4.8032     1.3404 
   H  36    1.4158     2.2900     4.7546     5.5403     5.8292     3.2929 
   H  37    2.2901     1.4158     4.0440     5.7792     6.4155     2.9514 
   H  38    0.6200     1.4157     5.6781     6.8224     7.2158     4.2139 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    4.6446     4.2476     0.0000 
   H  28    4.6986     4.4585     0.8768     0.0000 
   H  29    3.8348     3.6436     1.2399     0.8768     0.0000 
   H  30    1.0698     1.4502     3.8536     3.7759     2.8996     0.0000 
   H  31    2.4911     2.8932     3.6136     3.2069     2.4082     1.4674 
   H  32    3.1769     3.5257     3.4641     2.9109     2.2241     2.1342 
   H  33    3.8591     4.3084     4.1308     3.4641     2.9109     2.8736 
   H  34    3.4376     4.0317     4.7040     4.1309     3.4641     2.5890 
   H  35    1.0877     1.9629     5.2318     5.1140     4.2386     1.3800 
   H  36    3.7025     4.4562     5.8285     5.2915     4.5919     3.1269 
   H  37    2.4675     3.2813     6.8507     6.7065     5.8349     3.0000 
   H  38    4.3144     5.1742     7.3165     6.8428     6.0964     4.1077 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.6949     0.0000 
   H  33    1.4157     0.8768     0.0000 
   H  34    1.3470     1.2399     0.8768     0.0000 
   H  35    2.2901     2.9659     3.4457     2.8250     0.0000 
   H  36    2.2900     2.3825     2.0000     1.1752     2.8059     0.0000 
   H  37    3.7058     4.3170     4.5801     3.7870     1.6200     3.2400 
   H  38    3.7058     3.9390     3.6200     2.7824     3.2400     1.6200 

              H  37      H  38
              ----------------------
   H  37    0.0000 
   H  38    2.8059     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0994862722
  Cl   2   -0.0994862722
  Cl   3   -0.0835412660
   O   4   -0.2750786501
   N   5   -0.3082065772
   C   6    0.0847612655
   C   7    0.0066995289
   C   8    0.1361018589
   C   9   -0.0387839254
   C  10    0.2228624936
   C  11   -0.0586251044
   C  12   -0.0642283005
   C  13    0.0455479598
   C  14   -0.0273991017
   C  15   -0.0424550696
   C  16   -0.0554380861
   C  17   -0.0554380861
   C  18   -0.0430726422
   C  19   -0.0430726422
   C  20    0.0409943422
   H  21    0.0337931416
   H  22    0.0273543864
   H  23    0.0273543864
   H  24    0.0233602553
   H  25    0.0233602553
   H  26    0.0233602553
   H  27    0.0230068700
   H  28    0.0230068700
   H  29    0.0230068700
   H  30    0.1492888992
   H  31    0.0545381949
   H  32    0.0250735146
   H  33    0.0250735146
   H  34    0.0250735146
   H  35    0.0621310866
   H  36    0.0621310866
   H  37    0.0632157230
   H  38    0.0632157230


BOND ANGLES
  10    5   13   C2  Nam   C3    120.001
  10    5   30   C2  Nam   HC    119.997
  13    5   30   C3  Nam   HC    120.002
   7    6    8   C3   C3   C3     59.999
   7    6    9   C3   C3   C3    149.999
   7    6   10   C3   C3   C2     90.003
   8    6    9   C3   C3   C3     90.000
   8    6   10   C3   C3   C2    150.002
   9    6   10   C3   C3   C2    119.998
   6    7    8   C3   C3   C3     60.001
   6    7   11   C3   C3   C3    149.999
   6    7   21   C3   C3   HC    135.003
   8    7   11   C3   C3   C3    149.999
   8    7   21   C3   C3   HC     75.002
  11    7   21   C3   C3   HC     74.998
   1    8    2   Cl   C3   Cl    120.001
   1    8    6   Cl   C3   C3    149.999
   1    8    7   Cl   C3   C3     90.000
   2    8    6   Cl   C3   C3     90.000
   2    8    7   Cl   C3   C3    149.999
   6    8    7   C3   C3   C3     59.999
   6    9   12   C3   C3   C3    119.998
   6    9   22   C3   C3   HC     79.997
   6    9   23   C3   C3   HC    160.004
  12    9   22   C3   C3   HC    160.005
  12    9   23   C3   C3   HC     79.998
  22    9   23   HC   C3   HC     80.007
   4   10    5   O2   C2  Nam    120.001
   4   10    6   O2   C2   C3    120.001
   5   10    6  Nam   C2   C3    119.998
   7   11   24   C3   C3   HC     90.000
   7   11   25   C3   C3   HC    179.974
   7   11   26   C3   C3   HC     90.000
  24   11   25   HC   C3   HC     90.000
  24   11   26   HC   C3   HC    179.974
  25   11   26   HC   C3   HC     90.000
   9   12   27   C3   C3   HC     89.996
   9   12   28   C3   C3   HC    179.974
   9   12   29   C3   C3   HC     90.004
  27   12   28   HC   C3   HC     90.000
  27   12   29   HC   C3   HC    179.974
  28   12   29   HC   C3   HC     90.000
   5   13   14  Nam   C3  Car    120.001
   5   13   15  Nam   C3   C3    119.999
   5   13   31  Nam   C3   HC     59.999
  14   13   15  Car   C3   C3    120.001
  14   13   31  Car   C3   HC    179.974
  15   13   31   C3   C3   HC     59.999
  13   14   16   C3  Car  Car    120.001
  13   14   17   C3  Car  Car    120.001
  16   14   17  Car  Car  Car    119.999
  13   15   32   C3   C3   HC     89.999
  13   15   33   C3   C3   HC    179.974
  13   15   34   C3   C3   HC     90.001
  32   15   33   HC   C3   HC     90.000
  32   15   34   HC   C3   HC    179.974
  33   15   34   HC   C3   HC     90.000
  14   16   18  Car  Car  Car    120.001
  14   16   35  Car  Car   HC    120.002
  18   16   35  Car  Car   HC    119.997
  14   17   19  Car  Car  Car    120.001
  14   17   36  Car  Car   HC    119.998
  19   17   36  Car  Car   HC    120.002
  16   18   20  Car  Car  Car    120.001
  16   18   37  Car  Car   HC    119.997
  20   18   37  Car  Car   HC    120.002
  17   19   20  Car  Car  Car    120.001
  17   19   38  Car  Car   HC    120.002
  20   19   38  Car  Car   HC    119.998
   3   20   18   Cl  Car  Car    120.001
   3   20   19   Cl  Car  Car    120.001
  18   20   19  Car  Car  Car    119.999


TORSION ANGLES
  13    5   10    4      0.026
  13    5   10    6    179.974
  30    5   10    4    179.974
  30    5   10    6      0.026
  10    5   13   14    179.974
  10    5   13   15      0.026
  10    5   13   31      0.026
  30    5   13   14      0.026
  30    5   13   15    179.974
  30    5   13   31    179.974
   8    6    7    8      0.026
   8    6    7   11    179.974
   8    6    7   21      0.026
   9    6    7    8      0.026
   9    6    7   11    179.974
   9    6    7   21      0.026
  10    6    7    8    179.974
  10    6    7   11      0.026
  10    6    7   21    179.974
   7    6    8    1      0.026
   7    6    8    2    179.974
   7    6    8    7      0.026
   9    6    8    1    179.974
   9    6    8    2      0.026
   9    6    8    7    179.974
  10    6    8    1      0.026
  10    6    8    2    179.974
  10    6    8    7      0.026
   7    6    9   12    179.974
   7    6    9   22      0.026
   7    6    9   23      0.026
   8    6    9   12    179.974
   8    6    9   22      0.026
   8    6    9   23      0.026
  10    6    9   12      0.026
  10    6    9   22    179.974
  10    6    9   23    179.974
   7    6   10    4    179.974
   7    6   10    5      0.026
   8    6   10    4    179.974
   8    6   10    5      0.026
   9    6   10    4      0.026
   9    6   10    5    179.974
   6    7    8    1    179.974
   6    7    8    2      0.026
   6    7    8    6      0.026
  11    7    8    1      0.026
  11    7    8    2    179.974
  11    7    8    6    179.974
  21    7    8    1      0.026
  21    7    8    2    179.974
  21    7    8    6    179.974
   6    7   11   24      0.026
   6    7   11   25    180.000
   6    7   11   26    179.974
   8    7   11   24    179.974
   8    7   11   25    180.000
   8    7   11   26      0.026
  21    7   11   24    179.974
  21    7   11   25    180.000
  21    7   11   26      0.026
   6    9   12   27    179.974
   6    9   12   28    179.974
   6    9   12   29      0.026
  22    9   12   27      0.026
  22    9   12   28      0.026
  22    9   12   29    179.974
  23    9   12   27      0.026
  23    9   12   28      0.026
  23    9   12   29    179.974
   5   13   14   16      0.026
   5   13   14   17    179.974
  15   13   14   16    179.974
  15   13   14   17      0.026
  31   13   14   16    180.000
  31   13   14   17    180.000
   5   13   15   32      0.026
   5   13   15   33      0.026
   5   13   15   34    179.974
  14   13   15   32    179.974
  14   13   15   33    179.974
  14   13   15   34      0.026
  31   13   15   32      0.026
  31   13   15   33      0.026
  31   13   15   34    179.974
  13   14   16   18    179.974
  13   14   16   35      0.026
  17   14   16   18      0.026
  17   14   16   35    179.974
  13   14   17   19    179.974
  13   14   17   36      0.026
  16   14   17   19      0.026
  16   14   17   36    179.974
  14   16   18   20      0.026
  14   16   18   37    179.974
  35   16   18   20    179.974
  35   16   18   37      0.026
  14   17   19   20      0.026
  14   17   19   38    179.974
  36   17   19   20    179.974
  36   17   19   38      0.026
  16   18   20    3    179.974
  16   18   20   19      0.026
  37   18   20    3      0.026
  37   18   20   19    179.974
  17   19   20    3    179.974
  17   19   20   18      0.026
  38   19   20    3      0.026
  38   19   20   18    179.974


CHIRAL ATOMS
  38   19   20   18    179.974
  38   19   20   18    179.974
  38   19   20   18    179.974