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6-Aminoindolin-2-one
6-Aminoindolin-2-one ID: API-9499
CAS:150544-04-0
Supplier:APIchem

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SMILES:N1C(=O)Cc2ccc(cc12)N	ChemMol.com
FORMULA: C8H8N2O
MASS: 148.1619
EXACT MASS: 148.0636629
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5229     0.0000 
   C   3    2.4642     1.5229     0.0000 
   C   4    2.4643     2.4642     1.5230     0.0000 
   C   5    3.9051     3.9666     2.7827     1.5230     0.0000 
   C   6    4.5468     5.0394     4.1134     2.6379     1.5230     0.0000 
   C   7    4.1134     5.0394     4.5468     3.0460     2.6379     1.5230 
   C   8    2.7827     3.9666     3.9051     2.6379     3.0460     2.6379 
   C   9    1.5230     2.4642     2.4643     1.5230     2.6379     3.0460 
   O  10    2.7139     1.5230     2.7139     3.9409     5.4046     6.5489 
   N  11    5.4132     6.4820     6.0670     4.5690     4.0295     2.6379 

              C   7      C   8      C   9      O  10      N  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    2.6379     1.5230     0.0000 
   O  10    6.5489     5.4046     3.9409     0.0000 
   N  11    1.5230     2.6379     4.0295     7.9704     0.0000 



ATOMIC CHARGES
   N   1   -0.1791891407
   C   2    0.2500286728
   C   3    0.1147380789
   C   4    0.0024362501
   C   5   -0.0011133261
   C   6    0.0178304446
   C   7    0.0903679210
   C   8    0.0343345211
   C   9    0.0711980469
   O  10   -0.2726176901
   N  11   -0.1280137785


BOND ANGLES
   2    1    9   C2  Nam  Car    107.999
   1    2    3  Nam   C2   C3    108.004
   1    2   10  Nam   C2   O2    125.998
   3    2   10   C3   C2   O2    125.998
   2    3    4   C2   C3  Car    107.999
   3    4    5   C3  Car  Car    132.002
   3    4    9   C3  Car  Car    107.998
   5    4    9  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    120.000
   5    6    7  Car  Car  Car    120.001
   6    7    8  Car  Car  Car    120.001
   6    7   11  Car  Car  Npl    119.999
   8    7   11  Car  Car  Npl    120.000
   7    8    9  Car  Car  Car    120.000
   1    9    8  Nam  Car  Car    132.002
   4    9    8  Car  Car  Car    119.999
   1    9    4  Nam  Car  Car    107.998


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