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N-(3-methoxyphenyl)acetamide
N-(3-methoxyphenyl)acetamide
ID: BP-11892
CAS:588-16-9
Supplier:BroadPharm

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SMILES:C(=O)(Nc1cc(OC)ccc1)C	
FORMULA: C9H11NO2
MASS: 165.1891
EXACT MASS: 165.0789786
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6010     0.0000 
   C   3    1.0375     0.5975     0.0000 
   C   4    1.5869     1.0375     0.6010     0.0000 
   O   5    0.6000     1.0398     1.1985     1.7995     0.0000 
   C   6    2.0750     1.5829     1.0375     0.5975     2.1600     0.0000 
   O   7    2.6131     2.0750     1.5869     1.0375     2.7474     0.6010 
   C   8    1.7995     1.5863     1.0398     1.2000     1.5869     1.0378 
   C   9    0.6011     1.0417     1.5870     2.0792     1.0399     2.6132 
   C  10    1.1985     1.0378     0.6000     1.0398     1.0375     1.1985 
   C  11    2.1600     1.7960     1.1985     1.0378     2.0750     0.6000 
   C  12    3.1125     2.6090     2.0750     1.5829     3.1698     1.0375 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.5863     0.0000 
   C   9    3.1167     2.4006     0.0000 
   C  10    1.7995     0.6010     1.7996     0.0000 
   C  11    1.0398     0.5975     2.7475     1.0375     0.0000 
   C  12    0.5975     1.7960     3.6458     2.1600     1.1985     0.0000 




ATOMIC CHARGES
   C   1    0.2460619318
   N   2   -0.1790974354
   C   3    0.0763839439
   C   4    0.0534741212
   O   5   -0.2729715995
   C   6    0.1400336798
   O   7   -0.4713832259
   C   8    0.0044469813
   C   9    0.0967972589
   C  10    0.0168000252
   C  11    0.0369869235
   C  12    0.2524673951


BOND ANGLES
   2    1    5  Nam   C2   O2    119.944
   2    1    9  Nam   C2   C3    120.118
   5    1    9   O2   C2   C3    119.939
   1    2    3   C2  Nam  Car    119.917
   2    3    4  Nam  Car  Car    119.917
   2    3   10  Nam  Car  Car    120.140
   4    3   10  Car  Car  Car    119.944
   3    4    6  Car  Car  Car    119.917
   4    6    7  Car  Car   O3    119.917
   4    6   11  Car  Car  Car    120.140
   7    6   11   O3  Car  Car    119.944
   6    7   12  Car   O3   C3    119.917
  10    8   11  Car  Car  Car    119.917
   3   10    8  Car  Car  Car    119.944
   6   11    8  Car  Car  Car    120.140


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