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3-Indoleacetamide
3-Indoleacetamide ID: API-42743
CAS:879-37-8
Supplier:APIchem

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SMILES:O=C(N)Cc1c2c([nH]c1)cccc2	ChemMol.com
FORMULA: C10H10N2O
MASS: 174.1992
EXACT MASS: 174.0793130
INTERATOMIC DISTANCES

              O   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.8139     0.0000 
   N   3    1.7320     4.0464     0.0000 
   C   4    2.9906     1.6117     3.5072     0.0000 
   C   5    2.0000     1.6094     2.6458     0.9941     0.0000 
   C   6    3.3731     0.9941     4.2573     1.0000     1.6117     0.0000 
   C   7    1.7321     2.5788     1.7320     1.7764     1.0001     2.5819 
   C   8    1.8352     0.9940     3.0842     1.6095     0.9940     1.6095 
   C   9    3.7756     2.5576     3.9113     1.0000     1.8228     1.7320 
   C  10    4.3731     1.8228     5.1910     1.7320     2.5576     1.0000 
   C  11    4.6905     2.9792     4.9112     1.7320     2.6956     2.0000 
   C  12    4.9432     2.6956     5.4721     2.0000     2.9792     1.7320 
   C  13    1.0000     3.0518     1.0000     2.6708     1.7320     3.3251 
   H  14    2.0295     3.1928     1.4156     2.2459     1.5968     3.1295 
   H  15    2.3451     2.6646     2.1829     1.4887     1.0813     2.4293 
   H  16    1.4315     1.4478     2.9388     2.2073     1.4478     2.2073 
   H  17    3.1515     0.6201     4.5302     2.2101     2.2072     1.4479 
   H  18    3.7908     3.0271     3.6485     1.4158     1.9872     2.2901 
   H  19    4.7178     1.9872     5.6729     2.2901     3.0271     1.4158 
   H  20    5.1882     3.5979     5.2538     2.2900     3.2152     2.6199 
   H  21    5.5553     3.2152     6.0858     2.6199     3.5979     2.2900 
   H  22    1.8397     4.4328     0.6200     4.0486     3.1408     4.7404 
   H  23    2.2901     4.3432     0.6200     3.5780     2.8292     4.4215 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7764     0.0000 
   C   9    2.2533     2.5962     0.0000 
   C  10    3.4783     2.5962     2.0000     0.0000 
   C  11    3.2418     3.3000     1.0000     1.7320     0.0000 
   C  12    3.7443     3.3000     1.7320     1.0000     1.0000     0.0000 
   C  13    1.0000     2.0845     3.2470     4.2883     4.2280     4.6690 
   H  14    0.6199     2.3930     2.5121     3.9762     3.5109     4.1324 
   H  15    0.6200     2.0449     1.7284     3.2183     2.7283     3.3360 
   H  16    1.9694     0.6200     3.1774     3.1774     3.9140     3.9140 
   H  17    3.1516     1.4479     3.1227     2.0433     3.4394     3.0069 
   H  18    2.1272     2.8922     0.6200     2.6200     1.4158     2.2901 
   H  19    3.9874     2.8922     2.6200     0.6200     2.2901     1.4158 
   H  20    3.6503     3.8842     1.4157     2.2900     0.6200     1.4158 
   H  21    4.3603     3.8842     2.2900     1.4157     1.4158     0.6200 
   H  22    2.2901     3.4460     4.5069     5.6984     5.5057     6.0326 
   H  23    1.8397     3.4268     3.8238     5.3024     4.8153     5.4712 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    1.0812     0.0000 
   H  15    1.5967     0.7971     0.0000 
   H  16    1.9634     2.5445     2.3803     0.0000 
   H  17    3.5302     3.7703     3.2745     1.7221     0.0000 
   H  18    3.1201     2.2338     1.5254     3.4235     3.6200     0.0000 
   H  19    4.7377     4.5143     3.7772     3.4235     2.0176     3.2400 
   H  20    4.6492     3.8388     3.0897     4.4924     4.0585     1.6199 
   H  21    5.2887     4.7361     3.9390     4.4924     3.4575     2.8059 
   H  22    1.4158     2.0285     2.7807     3.2011     4.8699     4.2623 
   H  23    1.4158     1.3414     2.1355     3.3735     4.8699     3.4731 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    2.8059     0.0000 
   H  21    1.6199     1.6200     0.0000 
   H  22    6.1535     5.8624     6.6496     0.0000 
   H  23    5.8243     5.0931     6.0720     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2756750268
   N   2   -0.3603553996
   N   3   -0.3290524117
   C   4    0.0032802648
   C   5   -0.0136382192
   C   6    0.0467418297
   C   7    0.0508623591
   C   8    0.0063678288
   C   9   -0.0523145516
   C  10   -0.0377906846
   C  11   -0.0610663000
   C  12   -0.0597838298
   C  13    0.2148761703
   H  14    0.0407519905
   H  15    0.0407519905
   H  16    0.0809855762
   H  17    0.1653429917
   H  18    0.0624171724
   H  19    0.0638210586
   H  20    0.0617775405
   H  21    0.0618219610
   H  22    0.1449388446
   H  23    0.1449388446


BOND ANGLES
   6    2    8  Car  Nar  Car    108.103
   6    2   17  Car  Nar   HC    125.944
   8    2   17  Car  Nar   HC    125.953
  13    3   22   C2  Nam   HC    120.006
  13    3   23   C2  Nam   HC    119.997
  22    3   23   HC  Nam   HC    119.997
   5    4    6  Car  Car  Car    107.848
   5    4    9  Car  Car  Car    132.151
   6    4    9  Car  Car  Car    120.001
   4    5    7  Car  Car   C3    125.942
   4    5    8  Car  Car  Car    108.103
   7    5    8   C3  Car  Car    125.955
   2    6    4  Nar  Car  Car    107.848
   2    6   10  Nar  Car  Car    132.151
   4    6   10  Car  Car  Car    120.001
   5    7   13  Car   C3   C2    119.994
   5    7   14  Car   C3   HC    160.011
   5    7   15  Car   C3   HC     80.000
  13    7   14   C2   C3   HC     79.995
  13    7   15   C2   C3   HC    160.005
  14    7   15   HC   C3   HC     80.010
   2    8    5  Nar  Car  Car    108.098
   2    8   16  Nar  Car   HC    125.951
   5    8   16  Car  Car   HC    125.951
   4    9   11  Car  Car  Car    119.999
   4    9   18  Car  Car   HC    120.001
  11    9   18  Car  Car   HC    120.001
   6   10   12  Car  Car  Car    119.999
   6   10   19  Car  Car   HC    120.001
  12   10   19  Car  Car   HC    120.001
   9   11   12  Car  Car  Car    120.001
   9   11   20  Car  Car   HC    119.998
  12   11   20  Car  Car   HC    120.002
  10   12   11  Car  Car  Car    120.001
  10   12   21  Car  Car   HC    119.998
  11   12   21  Car  Car   HC    120.002
   1   13    3   O2   C2  Nam    119.995
   1   13    7   O2   C2   C3    120.003
   3   13    7  Nam   C2   C3    120.001


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