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Products Information

N-methylformanilide
N-methylformanilide ID: B187213
CAS:93-61-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N(C=O)(c1ccccc1)C	
FORMULA: C8H9NO
MASS: 135.1632
EXACT MASS: 135.0684139
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.9969     0.0000 
   O   3    1.7333     1.0041     0.0000 
   C   4    1.0000     1.7303     2.0011     0.0000 
   C   5    0.9969     1.7250     2.6435     1.7303     0.0000 
   C   6    1.7303     2.0000     1.7344     0.9969     2.6411     0.0000 
   C   7    1.7303     2.6411     2.9980     0.9969     2.0000     1.7250 
   C   8    2.6446     3.4606     3.6039     1.7303     3.0000     1.9939 
   C   9    2.6446     3.0000     2.6473     1.7303     3.4606     1.0000 
   C  10    3.0000     3.6047     3.4647     2.0000     3.6047     1.7303 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.9939     1.7250     0.0000 
   C  10    1.7303     0.9969     0.9969     0.0000 



ATOMIC CHARGES
   N   1   -0.2496640633
   C   2    0.3069841882
   O   3   -0.2645670734
   C   4    0.0543025660
   C   5    0.1204792041
   C   6    0.0149115236
   C   7    0.0149115236
   C   8    0.0012792767
   C   9    0.0012792767
   C  10    0.0000835779


BOND ANGLES
   2    1    4   C2  Nam  Car    120.101
   2    1    5   C2  Nam   C3    119.797
   4    1    5  Car  Nam   C3    120.101
   1    2    3  Nam   C2   O2    120.035
   1    4    6  Nam  Car  Car    120.101
   1    4    7  Nam  Car  Car    120.101
   6    4    7  Car  Car  Car    119.797
   4    6    9  Car  Car  Car    120.101
   4    7    8  Car  Car  Car    120.101
   7    8   10  Car  Car  Car    120.101
   6    9   10  Car  Car  Car    120.101
   8   10    9  Car  Car  Car    119.797


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