Sign In Join Free

Products Information

Indole -3-Acetamide
Indole -3-Acetamide ID: CHH14023
CAS:879-73-8
Supplier:ChemiK Co.,Ltd.

Get a quote


SMILES:[nH]1cc(c2ccccc12)CC(=O)N	
FORMULA: C10H10N2O
MASS: 174.1992
EXACT MASS: 174.0793130
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4462     0.8938     0.0000 
   C   4    1.4461     1.4462     0.8938     0.0000 
   C   5    2.2916     2.3278     1.6329     0.8937     0.0000 
   C   6    2.6682     2.9574     2.4139     1.5480     0.8938     0.0000 
   C   7    2.4139     2.9574     2.6683     1.7875     1.5481     0.8938 
   C   8    1.6330     2.3278     2.2917     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4461     0.8937     1.5480     1.7875 
   C  10    2.7356     1.8667     1.5480     2.3924     2.9062     3.7833 
   C  11    2.3127     1.5927     0.8937     1.5928     2.0180     2.9017 
   O  12    2.5689     1.6882     1.8276     2.7189     3.4144     4.2354 
   N  13    3.6244     2.7601     2.3645     3.1396     3.4996     4.3934 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5481     0.8938     0.0000 
   C  10    4.1782     3.8385     2.9778     0.0000 
   C  11    3.3514     3.1139     2.3127     0.8937     0.0000 
   O  12    4.4669     3.9607     3.0670     0.8937     1.5709     0.0000 
   N  13    4.8954     4.6448     3.8105     0.8937     1.5479     1.5240 

              N  13
              -----------
   N  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2441640626
   C   2    0.0950524101
   C   3    0.0076299408
   C   4    0.0156507692
   C   5    0.0012429956
   C   6    0.0000886431
   C   7    0.0015443629
   C   8    0.0190876930
   C   9    0.0810500817
   C  10    0.2652093495
   C  11    0.1163826793
   O  12   -0.2712844264
   N  13   -0.0874904361


BOND ANGLES
   2    1    9  Car  Nar  Car    107.999
   1    2    3  Nar  Car  Car    108.000
   2    3    4  Car  Car  Car    107.996
   2    3   11  Car  Car   C3    125.999
   4    3   11  Car  Car   C3    126.005
   3    4    5  Car  Car  Car    131.994
   3    4    9  Car  Car  Car    107.999
   5    4    9  Car  Car  Car    120.008
   4    5    6  Car  Car  Car    119.996
   5    6    7  Car  Car  Car    120.002
   6    7    8  Car  Car  Car    119.997
   7    8    9  Car  Car  Car    120.002
   1    9    8  Nar  Car  Car    131.998
   4    9    8  Car  Car  Car    119.996
   1    9    4  Nar  Car  Car    108.006
  11   10   12   C3   C2   O2    123.000
  11   10   13   C3   C2  Nam    119.997
  12   10   13   O2   C2  Nam    117.003
   3   11   10  Car   C3   C2    120.001


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