Sign In Join Free

Products Information

1-Chloroadamantane
1-Chloroadamantane ID: API-42915
CAS:935-56-8
Supplier:APIchem

Get a quote


SMILES:ClC12CC3CC(C1)CC(C2)C3	ChemMol.com
FORMULA: C10H15Cl
MASS: 170.6791
EXACT MASS: 170.0862282
INTERATOMIC DISTANCES

             Cl   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    2.5872     1.6724     0.0000 
   C   4    2.5872     1.6724     1.6724     0.0000 
   C   5    2.9651     2.0062     1.5881     0.4587     0.0000 
   C   6    1.7023     0.9656     0.9655     1.9311     2.0723     0.0000 
   C   7    1.7023     0.9656     1.9311     0.9655     1.4081     1.6724 
   C   8    1.9637     1.0863     1.6447     0.6272     1.0453     1.5681 
   C   9    2.7511     1.7511     0.8893     0.8893     0.7036     1.5191 
   C  10    3.3670     2.3699     1.1036     1.3913     1.0235     1.9776 
   C  11    3.3749     2.5550     2.5552     0.9661     0.9831     2.8972 
   H  12    3.5850     2.6219     1.9603     1.0405     0.6200     2.6046 
   H  13    3.1640     2.2089     1.7319     0.6200     0.2038     2.2637 
   H  14    2.9938     2.1682     0.6199     2.2722     2.1347     1.2920 
   H  15    2.1500     1.5626     1.0530     2.4389     2.4985     0.6200 
   H  16    1.3817     1.0529     1.5625     2.4388     2.6378     0.6200 
   H  17    1.3818     1.0530     2.4388     1.5626     2.0151     1.9725 
   H  18    2.1500     1.5626     2.4389     1.0530     1.4976     2.2855 
   H  19    1.6789     1.0837     2.1837     1.1436     1.5987     1.8778 
   H  20    2.3918     1.6387     2.1640     0.6217     1.0496     2.1871 
   H  21    3.2696     2.2788     1.4475     0.9262     0.4863     2.1384 
   H  22    3.2696     2.2788     0.9262     1.4475     1.1222     1.8263 
   H  23    3.8987     2.8991     1.7225     1.6278     1.1764     2.5880 
   H  24    3.7632     2.7897     1.2452     2.0062     1.6424     2.2091 
   H  25    3.3306     2.6482     2.9918     1.3212     1.5028     3.1718 
   H  26    3.9843     3.1359     2.9072     1.4866     1.3366     3.3844 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.3838     0.0000 
   C   9    1.5191     1.1451     0.0000 
   C  10    2.1515     1.7712     0.6458     0.0000 
   C  11    1.6727     1.4693     1.6827     1.9358     0.0000 
   H  12    2.0059     1.6560     1.1068     1.0477     1.0147     0.0000 
   H  13    1.5840     1.2311     0.8428     1.0390     0.9013     0.4250 
   H  14    2.5392     2.2631     1.4336     1.4162     3.1161     2.4115 
   H  15    2.2855     2.1522     1.8548     2.1565     3.3957     2.9607 
   H  16    1.9724     1.9761     2.1271     2.5974     3.3955     3.1953 
   H  17    0.6200     1.0036     2.1271     2.7652     2.1248     2.5981 
   H  18    0.6200     0.7953     1.8548     2.4274     1.3596     1.9975 
   H  19    0.2554     0.6199     1.7643     2.3905     1.7310     2.1767 
   H  20    0.6978     0.6200     1.4792     2.0124     0.9927     1.5411 
   H  21    1.8263     1.4466     0.6200     0.5952     1.3411     0.5146 
   H  22    2.1384     1.7651     0.6200     0.1913     2.0675     1.2191 
   H  23    2.5260     2.1440     1.1503     0.6200     1.8506     0.8370 
   H  24    2.7119     2.3401     1.1951     0.6200     2.5292     1.5778 
   H  25    1.6897     1.6228     2.1645     2.5067     0.6200     1.6328 
   H  26    2.2830     2.0519     2.0185     2.0869     0.6200     1.0415 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.2528     0.0000 
   H  15    2.6728     1.0408     0.0000 
   H  16    2.8353     1.7721     0.7970     0.0000 
   H  17    2.1820     3.0217     2.5888     2.0965     0.0000 
   H  18    1.6184     3.0579     2.8936     2.5887     0.7970     0.0000 
   H  19    1.7620     2.7895     2.4960     2.1252     0.4221     0.4917 
   H  20    1.1626     2.7816     2.7645     2.5865     1.1421     0.4570 
   H  21    0.4505     1.9017     2.4598     2.7434     2.4444     1.9772 
   H  22    1.1662     1.2256     1.9772     2.4444     2.7435     2.4598 
   H  23    1.0787     1.9811     2.7748     3.2078     3.1453     2.6741 
   H  24    1.6444     1.2632     2.2153     2.8066     3.3134     3.0312 
   H  25    1.4696     3.5840     3.7242     3.5979     1.9780     1.1843 
   H  26    1.1757     3.4127     3.8341     3.9189     2.7447     1.9748 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7390     0.0000 
   H  21    2.0379     1.5335     0.0000 
   H  22    2.3842     2.0622     0.7400     0.0000 
   H  23    2.7416     2.2247     0.7048     0.7982     0.0000 
   H  24    2.9588     2.6256     1.1942     0.5756     0.8600     0.0000 
   H  25    1.6544     1.0146     1.9197     2.6217     2.4665     3.1139 
   H  26    2.3501     1.6113     1.5207     2.2526     1.8111     2.6114 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.0214     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1180887813
   C   2    0.0459655285
   C   3   -0.0389593692
   C   4   -0.0389593692
   C   5   -0.0389593692
   C   6   -0.0309600060
   C   7   -0.0309600060
   C   8   -0.0309600060
   C   9   -0.0472399474
   C  10   -0.0472399474
   C  11   -0.0472399474
   H  12    0.0301471262
   H  13    0.0301471262
   H  14    0.0301471262
   H  15    0.0284660762
   H  16    0.0284660762
   H  17    0.0284660762
   H  18    0.0284660762
   H  19    0.0284660762
   H  20    0.0284660762
   H  21    0.0270605641
   H  22    0.0270605641
   H  23    0.0270605641
   H  24    0.0270605641
   H  25    0.0270605641
   H  26    0.0270605641


BOND ANGLES
   1    2    6   Cl   C3   C3    120.001
   1    2    7   Cl   C3   C3    120.001
   1    2    8   Cl   C3   C3    140.491
   6    2    7   C3   C3   C3    119.998
   6    2    8   C3   C3   C3     99.508
   7    2    8   C3   C3   C3     20.490
   6    3    9   C3   C3   C3    109.906
   6    3   10   C3   C3   C3    145.720
   6    3   14   C3   C3   HC    107.140
   9    3   10   C3   C3   C3     35.814
   9    3   14   C3   C3   HC    142.954
  10    3   14   C3   C3   HC    107.140
   7    4    9   C3   C3   C3    109.906
   7    4   11   C3   C3   C3    119.983
   7    4   13   C3   C3   HC    174.966
   9    4   11   C3   C3   C3    130.111
   9    4   13   C3   C3   HC     65.060
  11    4   13   C3   C3   HC     65.051
   8    5   10   C3   C3   C3    117.764
   8    5   11   C3   C3   C3     92.781
   8    5   12   C3   C3   HC    167.508
  10    5   11   C3   C3   C3    149.455
  10    5   12   C3   C3   HC     74.727
  11    5   12   C3   C3   HC     74.727
   2    6    3   C3   C3   C3    120.001
   2    6   15   C3   C3   HC    159.993
   2    6   16   C3   C3   HC     79.995
   3    6   15   C3   C3   HC     80.006
   3    6   16   C3   C3   HC    160.004
  15    6   16   HC   C3   HC     79.998
   2    7    4   C3   C3   C3    120.001
   2    7   17   C3   C3   HC     80.003
   2    7   18   C3   C3   HC    159.993
   4    7   17   C3   C3   HC    159.996
   4    7   18   C3   C3   HC     80.006
  17    7   18   HC   C3   HC     79.990
   2    8    5   C3   C3   C3    140.491
   2    8   19   C3   C3   HC     73.168
   2    8   20   C3   C3   HC    146.339
   5    8   19   C3   C3   HC    146.341
   5    8   20   C3   C3   HC     73.170
  19    8   20   HC   C3   HC     73.171
   3    9    4   C3   C3   C3    140.188
   3    9   21   C3   C3   HC    146.545
   3    9   22   C3   C3   HC     73.267
   4    9   21   C3   C3   HC     73.267
   4    9   22   C3   C3   HC    146.545
  21    9   22   HC   C3   HC     73.278
   3   10    5   C3   C3   C3     96.516
   3   10   23   C3   C3   HC    175.655
   3   10   24   C3   C3   HC     87.836
   5   10   23   C3   C3   HC     87.829
   5   10   24   C3   C3   HC    175.648
  23   10   24   HC   C3   HC     87.819
   4   11    5   C3   C3   C3     27.202
   4   11   25   C3   C3   HC    110.928
   4   11   26   C3   C3   HC    138.141
   5   11   25   C3   C3   HC    138.130
   5   11   26   C3   C3   HC    110.939
  25   11   26   HC   C3   HC    110.931


TORSION ANGLES
   1    2    6    3    179.974
   1    2    6   15      0.026
   1    2    6   16      0.026
   7    2    6    3      0.026
   7    2    6   15    179.974
   7    2    6   16    179.974
   8    2    6    3      0.026
   8    2    6   15    179.974
   8    2    6   16    179.974
   1    2    7    4    179.974
   1    2    7   17      0.026
   1    2    7   18      0.026
   6    2    7    4      0.026
   6    2    7   17    179.974
   6    2    7   18    179.974
   8    2    7    4      0.026
   8    2    7   17    179.974
   8    2    7   18    179.974
   1    2    8    5    179.974
   1    2    8   19      0.026
   1    2    8   20      0.026
   6    2    8    5      0.026
   6    2    8   19    179.974
   6    2    8   20    179.974
   7    2    8    5    179.974
   7    2    8   19      0.026
   7    2    8   20      0.026
   9    3    6    2      0.026
   9    3    6   15    179.974
   9    3    6   16    179.974
  10    3    6    2      0.026
  10    3    6   15    179.974
  10    3    6   16    179.974
  14    3    6    2    179.974
  14    3    6   15      0.026
  14    3    6   16      0.026
   6    3    9    4      0.026
   6    3    9   21    179.974
   6    3    9   22    179.974
  10    3    9    4    179.974
  10    3    9   21      0.026
  10    3    9   22      0.026
  14    3    9    4    179.974
  14    3    9   21      0.026
  14    3    9   22      0.026
   6    3   10    5      0.026
   6    3   10   23    179.974
   6    3   10   24    179.974
   9    3   10    5      0.026
   9    3   10   23    179.974
   9    3   10   24    179.974
  14    3   10    5    179.974
  14    3   10   23      0.026
  14    3   10   24      0.026
   9    4    7    2      0.026
   9    4    7   17    179.974
   9    4    7   18    179.974
  11    4    7    2    179.974
  11    4    7   17      0.026
  11    4    7   18      0.026
  13    4    7    2      0.026
  13    4    7   17    179.974
  13    4    7   18    179.974
   7    4    9    3      0.026
   7    4    9   21    179.974
   7    4    9   22    179.974
  11    4    9    3    179.974
  11    4    9   21      0.026
  11    4    9   22      0.026
  13    4    9    3    179.974
  13    4    9   21      0.026
  13    4    9   22      0.026
   7    4   11    5    179.974
   7    4   11   25      0.026
   7    4   11   26    179.974
   9    4   11    5      0.026
   9    4   11   25    179.974
   9    4   11   26      0.026
  13    4   11    5      0.026
  13    4   11   25    179.974
  13    4   11   26      0.026
  10    5    8    2      0.026
  10    5    8   19    179.974
  10    5    8   20    179.974
  11    5    8    2    179.974
  11    5    8   19      0.026
  11    5    8   20      0.026
  12    5    8    2    179.974
  12    5    8   19      0.026
  12    5    8   20      0.026
   8    5   10    3      0.026
   8    5   10   23    179.974
   8    5   10   24    179.974
  11    5   10    3    179.974
  11    5   10   23      0.026
  11    5   10   24      0.026
  12    5   10    3    179.974
  12    5   10   23      0.026
  12    5   10   24      0.026
   8    5   11    4      0.026
   8    5   11   25      0.026
   8    5   11   26    179.974
  10    5   11    4    179.974
  10    5   11   25    179.974
  10    5   11   26      0.026
  12    5   11    4    179.974
  12    5   11   25    179.974
  12    5   11   26      0.026


CHIRAL ATOMS
  12    5   11   26      0.026
  12    5   11   26      0.026
  12    5   11   26      0.026
  12    5   11   26      0.026