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1-acetyl-1,2-dihydro-3H-indol-3-one

1-acetyl-1,2-dihydro-3H-indol-3-one ID: BBC/374
CAS:16800-68-3
Supplier:Aronis

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SMILES:c1ccc2c(c1)C(=O)CN2C(=O)C	
FORMULA: C10H9NO2
MASS: 175.1840
EXACT MASS: 175.0633285
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4310     0.8255     0.0000 
   C   4    0.8229     1.4305     1.6530     0.0000 
   C   5    1.4273     1.6525     1.4341     0.8241     0.0000 
   C   6    1.6516     1.4332     0.8309     1.4301     0.8264     0.0000 
   N   7    2.4657     2.2343     1.5151     2.1172     1.3373     0.8265 
   C   8    2.7313     2.7358     2.1573     2.1500     1.3373     1.3373 
   C   9    2.2274     2.4672     2.1227     1.5073     0.8264     1.3372 
   O  10    2.6765     3.0969     2.8811     1.8625     1.4714     2.1370 
   C  11    3.0974     2.6853     1.8699     2.8764     2.1371     1.4715 
   O  12    3.1374     2.5377     1.7322     3.1326     2.5273     1.7239 
   C  13    3.8600     3.4990     2.6900     3.5450     2.7511     2.2097 

              N   7      C   8      C   9      O  10      C  11      O  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8265     0.0000 
   C   9    1.3372     0.8264     0.0000 
   O  10    2.1371     1.4714     0.8250     0.0000 
   C  11    0.8250     1.4715     2.1371     2.9064     0.0000 
   O  12    1.4289     2.2097     2.7510     3.5626     0.8250     0.0000 
   C  13    1.4289     1.7239     2.5273     3.1820     0.8250     1.4290 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0001751042
   C   2    0.0012815940
   C   3    0.0150034473
   C   4    0.0041474083
   C   5    0.0501229022
   C   6    0.0570419474
   N   7   -0.2508280657
   C   8    0.1670976013
   C   9    0.1945557798
   O  10   -0.2894673270
   C  11    0.2301921442
   O  12   -0.2745116958
   C  13    0.0951891599


BOND ANGLES
   2    1    4  Car  Car  Car    120.178
   1    2    3  Car  Car  Car    119.936
   2    3    6  Car  Car  Car    119.824
   1    4    5  Car  Car  Car    120.135
   4    5    9  Car  Car   C2    131.907
   4    5    6  Car  Car  Car    120.096
   6    5    9  Car  Car   C2    107.997
   3    6    7  Car  Car  Nam    132.165
   3    6    5  Car  Car  Car    119.830
   5    6    7  Car  Car  Nam    108.005
   6    7    8  Car  Nam   C3    107.993
   6    7   11  Car  Nam   C2    126.006
   8    7   11   C3  Nam   C2    126.001
   7    8    9  Nam   C3   C2    107.996
   5    9    8  Car   C2   C3    108.009
   8    9   10   C3   C2   O2    125.999
   5    9   10  Car   C2   O2    125.992
   7   11   12  Nam   C2   O2    119.997
   7   11   13  Nam   C2   C3    119.998
  12   11   13   O2   C2   C3    120.005


TORSION ANGLES
   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
   7    8    9   10    179.974
   8    9    5    4    179.974
   8    9    5    6      0.026
  10    9    5    4      0.026
  10    9    5    6    179.974
   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