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7-Hydroxyindole
7-Hydroxyindole ID: API-45622
CAS:2380-84-9
Supplier:APIchem

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SMILES:Oc1c2[nH]ccc2ccc1	ChemMol.com
FORMULA: C8H7NO
MASS: 133.1473
EXACT MASS: 133.0527638
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.1710     0.0000 
   C   3    1.7320     0.9941     0.0000 
   C   4    2.6457     1.6117     1.0000     0.0000 
   C   5    1.0000     1.8228     1.0000     1.7320     0.0000 
   C   6    3.3393     1.6094     1.6117     0.9941     2.5576     0.0000 
   C   7    3.0000     2.5576     1.7320     1.0000     2.0000     1.8228 
   C   8    3.1210     0.9940     1.6095     1.6095     2.5962     0.9940 
   C   9    1.7320     2.6956     1.7320     2.0000     1.0000     2.9792 
   C  10    2.6457     2.9792     2.0000     1.7320     1.7320     2.6956 
   H  11    2.0945     0.6201     1.4479     2.2101     2.0433     2.2072 
   H  12    3.9419     2.2071     2.2101     1.4479     3.1226     0.6200 
   H  13    3.6200     3.0271     2.2901     1.4158     2.6200     1.9872 
   H  14    3.6188     1.4478     2.2073     2.2073     3.1774     1.4478 
   H  15    1.8396     3.2152     2.2900     2.6199     1.4157     3.5979 
   H  16    3.1407     3.5979     2.6199     2.2900     2.2900     3.2152 
   H  17    0.6200     2.7901     2.2900     3.1407     1.4158     3.9013 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5962     0.0000 
   C   9    1.7320     3.3000     0.0000 
   C  10    1.0000     3.3000     1.0000     0.0000 
   H  11    3.1227     1.4479     3.0069     3.4394     0.0000 
   H  12    2.0432     1.4478     3.4394     3.0069     2.7881     0.0000 
   H  13    0.6200     2.8922     2.2901     1.4158     3.6200     2.0176 
   H  14    3.1774     0.6200     3.9140     3.9140     1.7221     1.7220 
   H  15    2.2900     3.8842     0.6200     1.4158     3.4575     4.0584 
   H  16    1.4157     3.8842     1.4158     0.6200     4.0585     3.4575 
   H  17    3.3533     3.7333     1.8397     2.8292     2.7018     4.4923 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    3.4235     0.0000 
   H  15    2.8059     4.4924     0.0000 
   H  16    1.6199     4.4924     1.6200     0.0000 
   H  17    3.9665     4.2377     1.7320     3.2380     0.0000 



ATOMIC CHARGES
   O   1   -0.5046921039
   N   2   -0.3578215721
   C   3    0.0884657909
   C   4    0.0032267049
   C   5    0.1406161897
   C   6   -0.0365408058
   C   7   -0.0523576467
   C   8    0.0028378797
   C   9   -0.0180919311
   C  10   -0.0576228697
   H  11    0.1654392273
   H  12    0.0638485992
   H  13    0.0624114442
   H  14    0.0806983386
   H  15    0.0654623704
   H  16    0.0618900887
   H  17    0.2922302958


BOND ANGLES
   5    1   17  Car   O3   HO    120.002
   3    2    8  Car  Nar  Car    108.103
   3    2   11  Car  Nar   HC    125.944
   8    2   11  Car  Nar   HC    125.953
   2    3    4  Nar  Car  Car    107.848
   2    3    5  Nar  Car  Car    132.151
   4    3    5  Car  Car  Car    120.001
   3    4    6  Car  Car  Car    107.848
   3    4    7  Car  Car  Car    120.001
   6    4    7  Car  Car  Car    132.151
   1    5    3   O3  Car  Car    120.001
   1    5    9   O3  Car  Car    120.001
   3    5    9  Car  Car  Car    119.999
   4    6    8  Car  Car  Car    108.103
   4    6   12  Car  Car   HC    125.947
   8    6   12  Car  Car   HC    125.950
   4    7   10  Car  Car  Car    119.999
   4    7   13  Car  Car   HC    120.001
  10    7   13  Car  Car   HC    120.001
   2    8    6  Nar  Car  Car    108.098
   2    8   14  Nar  Car   HC    125.951
   6    8   14  Car  Car   HC    125.951
   5    9   10  Car  Car  Car    120.001
   5    9   15  Car  Car   HC    119.998
  10    9   15  Car  Car   HC    120.002
   7   10    9  Car  Car  Car    120.001
   7   10   16  Car  Car   HC    119.998
   9   10   16  Car  Car   HC    120.002


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