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2-phenyl-2-(2-pyridinyl)acetamide

2-phenyl-2-(2-pyridinyl)acetamide ID: BBC/379
CAS:7251-52-7
Supplier:Aronis

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SMILES:C(C(=O)N)(c1ncccc1)c1ccccc1	
FORMULA: C13H12N2O
MASS: 212.2472
EXACT MASS: 212.0949630
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3291     0.0000 
   C   3    1.3231     2.2947     0.0000 
   N   4    2.2854     3.4999     1.3208     0.0000 
   C   5    1.3235     2.2956     2.2958     2.6445     0.0000 
   O   6    2.3019     1.3272     3.5085     4.5873     2.6541     0.0000 
   N   7    2.3029     1.3279     2.6542     3.9750     3.5102     2.2959 
   C   8    3.4999     4.5888     2.2941     1.3256     3.9701     5.7767 
   C   9    2.2918     2.6446     1.3242     2.2956     3.5039     3.9718 
   C  10    2.2957     3.5102     2.6534     2.2918     1.3292     3.9833 
   C  11    2.3083     2.6600     3.5196     3.9825     1.3380     2.3018 
   C  12    3.9769     4.7802     2.6539     2.3042     4.7825     6.0777 
   C  13    3.5269     3.9950     4.6125     4.7933     2.3167     3.5238 
   C  14    3.5188     4.6063     3.9905     3.5145     2.3107     4.7961 
   C  15    3.4954     3.9619     2.2876     2.6519     4.5834     5.2891 
   C  16    3.9971     4.8002     4.8020     4.6084     2.6735     4.6125 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    4.7830     0.0000 
   C   9    2.2927     2.6583     0.0000 
   C  10    4.5987     3.4984     3.9776     0.0000 
   C  11    3.9878     5.3081     4.6000     2.3082     0.0000 
   C  12    4.5952     1.3386     2.3025     4.5959     6.0902     0.0000 
   C  13    5.3228     6.0862     5.7951     2.6703     1.3350     7.0378 
   C  14    5.7961     4.5917     5.3146     1.3370     2.6667     5.7919 
   C  15    3.4936     2.3101     1.3173     4.7764     5.7806     1.3376 
   C  16    6.0987     5.7893     6.0948     2.3166     2.3107     6.9126 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.3118     0.0000 
   C  15    6.9001     6.0832     0.0000 
   C  16    1.3333     1.3380     7.0307     0.0000 



ATOMIC CHARGES
   C   1    0.1419666647
   C   2    0.2700374292
   C   3    0.0715618624
   N   4   -0.2473490348
   C   5   -0.0081629920
   O   6   -0.2708936984
   N   7   -0.0871771637
   C   8    0.0984722512
   C   9    0.0155460984
   C  10   -0.0034330076
   C  11   -0.0034330076
   C  12    0.0206576455
   C  13   -0.0002997847
   C  14   -0.0002997847
   C  15    0.0028260193
   C  16   -0.0000194972


BOND ANGLES
   2    1    3   C2   C3  Car    119.815
   2    1    5   C2   C3  Car    119.855
   3    1    5  Car   C3  Car    120.329
   1    2    6   C3   C2   O2    120.127
   1    2    7   C3   C2  Nam    120.167
   6    2    7   O2   C2  Nam    119.706
   1    3    4   C3  Car  Nar    119.634
   1    3    9   C3  Car  Car    119.930
   4    3    9  Nar  Car  Car    120.436
   3    4    8  Car  Nar  Car    120.194
   1    5   10   C3  Car  Car    119.860
   1    5   11   C3  Car  Car    120.285
  10    5   11  Car  Car  Car    119.855
   4    8   12  Nar  Car  Car    119.732
   3    9   15  Car  Car  Car    119.998
   5   10   14  Car  Car  Car    120.145
   5   11   13  Car  Car  Car    120.153
   8   12   15  Car  Car  Car    119.359
  11   13   16  Car  Car  Car    119.988
  10   14   16  Car  Car  Car    119.999
   9   15   12  Car  Car  Car    120.281
  13   16   14  Car  Car  Car    119.859


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    5      0.026
   7    2    1    3      0.026
   7    2    1    5    179.974
   4    3    1    2    179.974
   4    3    1    5      0.026
   9    3    1    2      0.026
   9    3    1    5    179.974
   8    4    3    1    179.974
   8    4    3    9      0.026
  10    5    1    2    179.974
  10    5    1    3      0.026
  11    5    1    2      0.026
  11    5    1    3    179.974
  12    8    4    3      0.026
  15    9    3    1    179.974
  15    9    3    4      0.026
  14   10    5    1    179.974
  14   10    5   11      0.026
  13   11    5    1    179.974
  13   11    5   10      0.026
   8   12   15    9      0.026
  16   13   11    5      0.026
  16   14   10    5      0.026
  12   15    9    3      0.026
  14   16   13   11      0.026
  13   16   14   10      0.026
  15   12    8    4      0.026


CHIRAL ATOMS
  15   12    8    4      0.026