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1-acetyl-7-indolinamine

1-acetyl-7-indolinamine ID: BBC/515
CAS:51501-31-6
Supplier:Aronis

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SMILES:c1cc(c2c(c1)CCN2C(=O)C)N	
FORMULA: C10H12N2O
MASS: 176.2151
EXACT MASS: 176.0949630
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8232     0.0000 
   C   3    1.4294     0.8291     0.0000 
   C   4    0.8265     1.4290     1.6489     0.0000 
   C   5    1.4272     1.6504     1.4283     0.8205     0.0000 
   C   6    1.6491     1.4314     0.8245     1.4257     0.8247     0.0000 
   N   7    2.4613     2.2292     1.5043     2.1119     1.3358     0.8239 
   C   8    2.7258     2.7260     2.1400     2.1442     1.3341     1.3275 
   C   9    2.2266     2.4621     2.1114     1.5041     0.8242     1.3306 
   N  10    2.1824     1.4314     0.8250     2.4739     2.1833     1.4302 
   C  11    3.0914     2.6781     1.8579     2.8717     2.1370     1.4700 
   C  12    3.1230     2.5233     1.7163     3.1211     2.5212     1.7182 
   O  13    3.8523     3.4881     2.6738     3.5394     2.7502     2.2051 

              N   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8174     0.0000 
   C   9    1.3319     0.8259     0.0000 
   N  10    1.7912     2.5723     2.7570     0.0000 
   C  11    0.8271     1.4666     2.1346     1.7601     0.0000 
   C  12    1.4275     2.2006     2.7434     1.2608     0.8238     0.0000 
   O  13    1.4283     1.7233     2.5267     2.5505     0.8205     1.4249 

              O  13
              -----------
   O  13    0.0000 



ATOMIC CHARGES
   C   1    0.0011452296
   C   2    0.0193059098
   C   3    0.1023766677
   C   4   -0.0028957097
   C   5   -0.0054357733
   C   6    0.0665934277
   N   7   -0.2573068817
   C   8    0.1029362180
   C   9    0.0495238261
   N  10   -0.1267621383
   C  11    0.2298618247
   C  12    0.0951789538
   O  13   -0.2745215545


BOND ANGLES
   2    1    4  Car  Car  Car    120.049
   1    2    3  Car  Car  Car    119.784
   6    3   10  Car  Car  Npl    120.243
   2    3    6  Car  Car  Car    119.910
   2    3   10  Car  Car  Npl    119.847
   1    4    5  Car  Car  Car    120.120
   4    5    9  Car  Car   C3    132.275
   4    5    6  Car  Car  Car    120.123
   6    5    9  Car  Car   C3    107.602
   3    6    7  Car  Car  Nam    131.741
   3    6    5  Car  Car  Car    120.014
   5    6    7  Car  Car  Nam    108.245
   6    7    8  Car  Nam   C3    107.960
   6    7   11  Car  Nam   C2    125.841
   8    7   11   C3  Nam   C2    126.199
   7    8    9  Nam   C3   C3    108.291
   5    9    8  Car   C3   C3    107.902
   7   11   12  Nam   C2   C3    119.685
   7   11   13  Nam   C2   O2    120.197
  12   11   13   C3   C2   O2    120.118


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