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7-Methylindole
7-Methylindole ID: API-42899
CAS:933-67-5
Supplier:APIchem

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SMILES:[nH]1c2c(cc1)cccc2C	ChemMol.com
FORMULA: C9H9N
MASS: 131.1745
EXACT MASS: 131.0734993
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.9941     0.0000 
   C   3    1.6117     1.0000     0.0000 
   C   4    1.8228     1.0000     1.7320     0.0000 
   C   5    1.6094     1.6117     0.9941     2.5576     0.0000 
   C   6    2.5576     1.7320     1.0000     2.0000     1.8228     0.0000 
   C   7    2.6956     1.7320     2.0000     1.0000     2.9792     1.7320 
   C   8    0.9940     1.6095     1.6095     2.5962     0.9940     2.5962 
   C   9    2.9792     2.0000     1.7320     1.7320     2.6956     1.0000 
   C  10    2.1710     1.7320     2.6457     1.0000     3.3393     3.0000 
   H  11    0.6201     1.4479     2.2101     2.0433     2.2072     3.1227 
   H  12    2.2071     2.2101     1.4479     3.1226     0.6200     2.0432 
   H  13    3.0271     2.2901     1.4158     2.6200     1.9872     0.6200 
   H  14    3.2152     2.2900     2.6199     1.4157     3.5979     2.2900 
   H  15    1.4478     2.2073     2.2073     3.1774     1.4478     3.1774 
   H  16    3.5979     2.6199     2.2900     2.2900     3.2152     1.4157 
   H  17    1.6883     1.5200     2.5121     1.1766     3.0476     3.0634 
   H  18    2.5651     2.2901     3.2380     1.6200     3.8747     3.6200 
   H  19    2.7101     2.1114     2.9083     1.1766     3.7125     3.0634 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.3000     0.0000 
   C   9    1.0000     3.3000     0.0000 
   C  10    1.7320     3.1210     2.6457     0.0000 
   H  11    3.0069     1.4479     3.4394     2.0945     0.0000 
   H  12    3.4394     1.4478     3.0069     3.9419     2.7881     0.0000 
   H  13    2.2901     2.8922     1.4158     3.6200     3.6200     2.0176 
   H  14    0.6200     3.8842     1.4158     1.8396     3.4575     4.0584 
   H  15    3.9140     0.6200     3.9140     3.6188     1.7221     1.7220 
   H  16    1.4158     3.8842     0.6200     3.1407     4.0585     3.4575 
   H  17    2.1114     2.6747     2.9083     0.6200     1.5116     3.6657 
   H  18    2.2901     3.5503     3.2380     0.6200     2.3500     4.4868 
   H  19    1.5200     3.6188     2.5121     0.6200     2.6939     4.2906 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    3.4235     4.4924     0.0000 
   H  16    1.6199     1.6200     4.4924     0.0000 
   H  17    3.6727     2.3470     3.1210     3.4624     0.0000 
   H  18    4.2400     2.2900     3.9950     3.7058     0.8768     0.0000 
   H  19    3.6727     1.4244     4.1497     2.9170     1.2400     0.8768 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   N   1   -0.3604322715
   C   2    0.0494083361
   C   3   -0.0000982743
   C   4   -0.0265767204
   C   5   -0.0366517184
   C   6   -0.0525708612
   C   7   -0.0568583455
   C   8    0.0027389199
   C   9   -0.0608264072
   C  10   -0.0377488057
   H  11    0.1653407045
   H  12    0.0638472205
   H  13    0.0624087872
   H  14    0.0620841258
   H  15    0.0806970921
   H  16    0.0617856267
   H  17    0.0278175305
   H  18    0.0278175305
   H  19    0.0278175305


BOND ANGLES
   2    1    8  Car  Nar  Car    108.103
   2    1   11  Car  Nar   HC    125.944
   8    1   11  Car  Nar   HC    125.953
   1    2    3  Nar  Car  Car    107.848
   1    2    4  Nar  Car  Car    132.151
   3    2    4  Car  Car  Car    120.001
   2    3    5  Car  Car  Car    107.848
   2    3    6  Car  Car  Car    120.001
   5    3    6  Car  Car  Car    132.151
   2    4    7  Car  Car  Car    119.999
   2    4   10  Car  Car   C3    120.001
   7    4   10  Car  Car   C3    120.001
   3    5    8  Car  Car  Car    108.103
   3    5   12  Car  Car   HC    125.947
   8    5   12  Car  Car   HC    125.950
   3    6    9  Car  Car  Car    119.999
   3    6   13  Car  Car   HC    120.001
   9    6   13  Car  Car   HC    120.001
   4    7    9  Car  Car  Car    120.001
   4    7   14  Car  Car   HC    119.998
   9    7   14  Car  Car   HC    120.002
   1    8    5  Nar  Car  Car    108.098
   1    8   15  Nar  Car   HC    125.951
   5    8   15  Car  Car   HC    125.951
   6    9    7  Car  Car  Car    120.001
   6    9   16  Car  Car   HC    119.998
   7    9   16  Car  Car   HC    120.002
   4   10   17  Car   C3   HC     90.000
   4   10   18  Car   C3   HC    179.974
   4   10   19  Car   C3   HC     90.000
  17   10   18   HC   C3   HC     90.000
  17   10   19   HC   C3   HC    179.974
  18   10   19   HC   C3   HC     90.000


TORSION ANGLES
   8    1    2    3      0.026
   8    1    2    4    179.974
  11    1    2    3    179.974
  11    1    2    4      0.026
   2    1    8    5      0.026
   2    1    8   15    179.974
  11    1    8    5    179.974
  11    1    8   15      0.026
   1    2    3    5      0.026
   1    2    3    6    179.974
   4    2    3    5    179.974
   4    2    3    6      0.026
   1    2    4    7    179.974
   1    2    4   10      0.026
   3    2    4    7      0.026
   3    2    4   10    179.974
   2    3    5    8      0.026
   2    3    5   12    179.974
   6    3    5    8    179.974
   6    3    5   12      0.026
   2    3    6    9      0.026
   2    3    6   13    179.974
   5    3    6    9    179.974
   5    3    6   13      0.026
   2    4    7    9      0.026
   2    4    7   14    179.974
  10    4    7    9    179.974
  10    4    7   14      0.026
   2    4   10   17      0.026
   2    4   10   18    180.000
   2    4   10   19    179.974
   7    4   10   17    179.974
   7    4   10   18    180.000
   7    4   10   19      0.026
   3    5    8    1      0.026
   3    5    8   15    179.974
  12    5    8    1    179.974
  12    5    8   15      0.026
   3    6    9    7      0.026
   3    6    9   16    179.974
  13    6    9    7    179.974
  13    6    9   16      0.026
   4    7    9    6      0.026
   4    7    9   16    179.974
  14    7    9    6    179.974
  14    7    9   16      0.026