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N-(1-Adamantyl)acetamide
N-(1-Adamantyl)acetamide ID: API-42746
CAS:880-52-4
Supplier:APIchem

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SMILES:O=C(NC12CC3CC(C2)CC(C1)C3)C	ChemMol.com
FORMULA: C12H19NO
MASS: 193.2854
EXACT MASS: 193.1466642
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.7320     0.0000 
   C   3    2.0000     1.0000     0.0000 
   C   4    2.6070     2.5872     1.6724     0.0000 
   C   5    3.7664     2.9651     2.0062     1.5881     0.0000 
   C   6    3.5482     2.5872     1.6724     1.6724     0.4587     0.0000 
   C   7    1.7324     1.7023     0.9656     0.9655     2.0723     1.9311 
   C   8    3.0414     1.9637     1.0863     1.6447     1.0453     0.6272 
   C   9    2.9655     1.7023     0.9656     1.9311     1.4081     0.9655 
   C  10    4.4928     3.3749     2.5550     2.5552     0.9831     0.9661 
   C  11    3.2509     2.7511     1.7511     0.8893     0.7036     0.8893 
   C  12    3.6869     3.3670     2.3699     1.1036     1.0235     1.3913 
   C  13    1.0000     1.0000     1.7320     2.9485     3.7245     3.4044 
   C  14    1.7320     1.7320     2.6457     3.9484     4.6517     4.2996 
   H  15    3.9647     3.1640     2.2089     1.7319     0.2038     0.6200 
   H  16    4.3255     3.5850     2.6219     1.9603     0.6200     1.0405 
   H  17    2.6484     2.9938     2.1682     0.6199     2.1347     2.2722 
   H  18    1.6158     2.1500     1.5626     1.0530     2.4985     2.4389 
   H  19    1.1305     1.3817     1.0529     1.5625     2.6378     2.4388 
   H  20    3.0664     1.6789     1.0837     2.1837     1.5987     1.1436 
   H  21    3.6290     2.3918     1.6387     2.1640     1.0496     0.6217 
   H  22    2.9224     1.3818     1.0530     2.4388     2.0151     1.5626 
   H  23    3.5545     2.1500     1.5626     2.4389     1.4976     1.0530 
   H  24    4.3044     3.8987     2.8991     1.7225     1.1764     1.6278 
   H  25    3.8209     3.7632     2.7897     1.2452     1.6424     2.0062 
   H  26    3.8693     3.2696     2.2788     1.4475     0.4863     0.9262 
   H  27    3.5226     3.2696     2.2788     0.9262     1.1222     1.4475 
   H  28    4.6428     3.3306     2.6482     2.9918     1.5028     1.3212 
   H  29    5.0338     3.9843     3.1359     2.9072     1.3366     1.4866 
   H  30    2.2900     0.6200     1.4158     3.0812     3.1971     2.7745 
   H  31    1.5200     2.1114     2.9083     4.0014     4.8943     4.5806 
   H  32    2.2901     2.2901     3.2380     4.5684     5.2401     4.8751 
   H  33    2.1114     1.5200     2.5121     3.9922     4.4824     4.0939 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5681     0.0000 
   C   9    1.6724     0.3838     0.0000 
   C  10    2.8972     1.4693     1.6727     0.0000 
   C  11    1.5191     1.1451     1.5191     1.6827     0.0000 
   C  12    1.9776     1.7712     2.1515     1.9358     0.6458     0.0000 
   C  13    1.9830     2.8091     2.6132     4.2684     3.3645     3.9148 
   C  14    2.9829     3.6834     3.4343     5.1070     4.3384     4.9037 
   H  15    2.2637     1.2311     1.5840     0.9013     0.8428     1.0390 
   H  16    2.6046     1.6560     2.0059     1.0147     1.1068     1.0477 
   H  17    1.2920     2.2631     2.5392     3.1161     1.4336     1.4162 
   H  18    0.6200     2.1522     2.2855     3.3957     1.8548     2.1565 
   H  19    0.6200     1.9761     1.9724     3.3955     2.1271     2.5974 
   H  20    1.8778     0.6199     0.2554     1.7310     1.7643     2.3905 
   H  21    2.1871     0.6200     0.6978     0.9927     1.4792     2.0124 
   H  22    1.9725     1.0036     0.6200     2.1248     2.1271     2.7652 
   H  23    2.2855     0.7953     0.6200     1.3596     1.8548     2.4274 
   H  24    2.5880     2.1440     2.5260     1.8506     1.1503     0.6200 
   H  25    2.2091     2.3401     2.7119     2.5292     1.1951     0.6200 
   H  26    2.1384     1.4466     1.8263     1.3411     0.6200     0.5952 
   H  27    1.8263     1.7651     2.1384     2.0675     0.6200     0.1913 
   H  28    3.1718     1.6228     1.6897     0.6200     2.1645     2.5067 
   H  29    3.3844     2.0519     2.2830     0.6200     2.0185     2.0869 
   H  30    2.2582     2.1536     1.8176     3.4345     3.1078     3.7463 
   H  31    3.0528     3.9853     3.7802     5.4419     4.5033     5.0237 
   H  32    3.6029     4.2534     3.9847     5.6533     4.9475     5.5188 
   H  33    3.0406     3.4671     3.1731     4.8288     4.2582     4.8603 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   H  15    3.9282     4.8541     0.0000 
   H  16    4.3324     5.2676     0.4250     0.0000 
   H  17    3.1811     4.1691     2.2528     2.4115     0.0000 
   H  18    2.1696     3.1445     2.6728     2.9607     1.0408     0.0000 
   H  19    1.4120     2.4071     2.8353     3.1953     1.7721     0.7970 
   H  20    2.6330     3.4025     1.7620     2.1767     2.7895     2.4960 
   H  21    3.3110     4.1229     1.1626     1.5411     2.7816     2.7645 
   H  22    2.3717     3.0701     2.1820     2.5981     3.0217     2.5888 
   H  23    3.1175     3.8600     1.6184     1.9975     3.0579     2.8936 
   H  24    4.5012     5.4823     1.0787     0.8370     1.9811     2.7748 
   H  25    4.1917     5.1913     1.6444     1.5778     1.2632     2.2153 
   H  26    3.9471     4.9068     0.4505     0.5146     1.9017     2.4598 
   H  27    3.7813     4.7744     1.1662     1.2191     1.2256     1.9772 
   H  28    4.2854     5.0443     1.4696     1.6328     3.5840     3.7242 
   H  29    4.8608     5.7155     1.1757     1.0415     3.4127     3.8341 
   H  30    1.4157     1.8396     3.3848     3.8096     3.5373     2.7471 
   H  31    1.1766     0.6200     5.0981     5.4981     4.1314     3.0906 
   H  32    1.6200     0.6200     5.4414     5.8581     4.7842     3.7556 
   H  33    1.1766     0.6200     4.6802     5.1024     4.2969     3.3155 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.1252     0.0000 
   H  21    2.5865     0.7390     0.0000 
   H  22    2.0965     0.4221     1.1421     0.0000 
   H  23    2.5887     0.4917     0.4570     0.7970     0.0000 
   H  24    3.2078     2.7416     2.2247     3.1453     2.6741     0.0000 
   H  25    2.8066     2.9588     2.6256     3.3134     3.0312     0.8600 
   H  26    2.7434     2.0379     1.5335     2.4444     1.9772     0.7048 
   H  27    2.4444     2.3842     2.0622     2.7435     2.4598     0.7982 
   H  28    3.5979     1.6544     1.0146     1.9780     1.1843     2.4665 
   H  29    3.9189     2.3501     1.6113     2.7447     1.9748     1.8111 
   H  30    1.9943     1.7063     2.4447     1.3138     2.1070     4.2307 
   H  31    2.4398     3.7839     4.4776     3.4905     4.2605     5.6242 
   H  32    3.0257     3.9320     4.6631     3.5758     4.3722     6.0937 
   H  33    2.5307     3.0991     3.8361     2.7269     3.5237     5.4082 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    1.1942     0.0000 
   H  27    0.5756     0.7400     0.0000 
   H  28    3.1139     1.9197     2.6217     0.0000 
   H  29    2.6114     1.5207     2.2526     1.0214     0.0000 
   H  30    4.1986     3.5625     3.6723     3.2771     4.0543     0.0000 
   H  31    5.2432     5.0984     4.8780     5.4382     6.0365     2.3470 
   H  32    5.8112     5.5090     5.3915     5.5533     6.2671     2.2900 
   H  33    5.2132     4.7884     4.7502     4.6994     5.4464     1.4244 

              H  31      H  32      H  33
              ---------------------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 
   H  33    1.2400     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.2761069924
   N   2   -0.3099658207
   C   3    0.0353207340
   C   4   -0.0386054040
   C   5   -0.0386054040
   C   6   -0.0386054040
   C   7   -0.0287304377
   C   8   -0.0287304377
   C   9   -0.0287304377
   C  10   -0.0472113993
   C  11   -0.0472113993
   C  12   -0.0472113993
   C  13    0.2103343801
   C  14    0.0121623057
   H  15    0.0301613242
   H  16    0.0301613242
   H  17    0.0301613242
   H  18    0.0288486458
   H  19    0.0288486458
   H  20    0.0288486458
   H  21    0.0288486458
   H  22    0.0288486458
   H  23    0.0288486458
   H  24    0.0270609483
   H  25    0.0270609483
   H  26    0.0270609483
   H  27    0.0270609483
   H  28    0.0270609483
   H  29    0.0270609483
   H  30    0.1492160276
   H  31    0.0322465172
   H  32    0.0322465172
   H  33    0.0322465172


BOND ANGLES
   3    2   13   C3  Nam   C2    120.001
   3    2   30   C3  Nam   HC    120.002
  13    2   30   C2  Nam   HC    119.998
   2    3    7  Nam   C3   C3    120.001
   2    3    8  Nam   C3   C3    140.491
   2    3    9  Nam   C3   C3    120.001
   7    3    8   C3   C3   C3     99.508
   7    3    9   C3   C3   C3    119.998
   8    3    9   C3   C3   C3     20.490
   7    4   11   C3   C3   C3    109.906
   7    4   12   C3   C3   C3    145.720
   7    4   17   C3   C3   HC    107.140
  11    4   12   C3   C3   C3     35.814
  11    4   17   C3   C3   HC    142.954
  12    4   17   C3   C3   HC    107.140
   8    5   10   C3   C3   C3     92.781
   8    5   12   C3   C3   C3    117.764
   8    5   16   C3   C3   HC    167.508
  10    5   12   C3   C3   C3    149.455
  10    5   16   C3   C3   HC     74.727
  12    5   16   C3   C3   HC     74.727
   9    6   10   C3   C3   C3    119.983
   9    6   11   C3   C3   C3    109.906
   9    6   15   C3   C3   HC    174.966
  10    6   11   C3   C3   C3    130.111
  10    6   15   C3   C3   HC     65.051
  11    6   15   C3   C3   HC     65.060
   3    7    4   C3   C3   C3    120.001
   3    7   18   C3   C3   HC    159.993
   3    7   19   C3   C3   HC     79.995
   4    7   18   C3   C3   HC     80.006
   4    7   19   C3   C3   HC    160.004
  18    7   19   HC   C3   HC     79.998
   3    8    5   C3   C3   C3    140.491
   3    8   20   C3   C3   HC     73.168
   3    8   21   C3   C3   HC    146.339
   5    8   20   C3   C3   HC    146.341
   5    8   21   C3   C3   HC     73.170
  20    8   21   HC   C3   HC     73.171
   3    9    6   C3   C3   C3    120.001
   3    9   22   C3   C3   HC     80.003
   3    9   23   C3   C3   HC    159.993
   6    9   22   C3   C3   HC    159.996
   6    9   23   C3   C3   HC     80.006
  22    9   23   HC   C3   HC     79.990
   5   10    6   C3   C3   C3     27.202
   5   10   28   C3   C3   HC    138.130
   5   10   29   C3   C3   HC    110.939
   6   10   28   C3   C3   HC    110.928
   6   10   29   C3   C3   HC    138.141
  28   10   29   HC   C3   HC    110.931
   4   11    6   C3   C3   C3    140.188
   4   11   26   C3   C3   HC    146.545
   4   11   27   C3   C3   HC     73.267
   6   11   26   C3   C3   HC     73.267
   6   11   27   C3   C3   HC    146.545
  26   11   27   HC   C3   HC     73.278
   4   12    5   C3   C3   C3     96.516
   4   12   24   C3   C3   HC    175.655
   4   12   25   C3   C3   HC     87.836
   5   12   24   C3   C3   HC     87.829
   5   12   25   C3   C3   HC    175.648
  24   12   25   HC   C3   HC     87.819
   1   13    2   O2   C2  Nam    119.999
   1   13   14   O2   C2   C3    120.001
   2   13   14  Nam   C2   C3    120.001
  13   14   31   C2   C3   HC     90.000
  13   14   32   C2   C3   HC    179.974
  13   14   33   C2   C3   HC     90.000
  31   14   32   HC   C3   HC     90.000
  31   14   33   HC   C3   HC    179.974
  32   14   33   HC   C3   HC     90.000


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


CHIRAL ATOMS
   2   13   14   33      0.026
   2   13   14   33      0.026
   2   13   14   33      0.026
   2   13   14   33      0.026