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1-Phenylpiperidine-4-one HCl
1-Phenylpiperidine-4-one HCl ID: CHH15537
CAS:6328-93-4
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(CCC(=O)CC1)c1ccccc1.Cl	
FORMULA: C11H14ClNO
MASS: 211.6880
EXACT MASS: 211.0763918
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8378     0.0000 
   C   3    1.4512     0.8379     0.0000 
   C   4    1.6757     1.4512     0.8378     0.0000 
   C   5    1.4512     1.6757     1.4512     0.8378     0.0000 
   C   6    0.8378     1.4512     1.6757     1.4512     0.8379     0.0000 
   O   7    2.5135     2.2167     1.4511     0.8378     1.4511     2.2167 
   C   8    0.8378     1.4511     2.2167     2.5135     2.2167     1.4511 
   C   9    1.4511     2.2167     2.9024     3.0208     2.5135     1.6756 
   C  10    2.2166     2.9023     3.6520     3.8394     3.3513     2.5134 
   C  11    2.5134     3.0207     3.8394     4.1891     3.8394     3.0207 
   C  12    2.2166     2.5134     3.3513     3.8394     3.6520     2.9023 
   C  13    1.4511     1.6756     2.5135     3.0208     2.9024     2.2167 
   H  14    3.0208     2.9024     2.2167     1.4511     1.6756     2.5135 
  Cl  15    3.8394     3.6520     2.9023     2.2166     2.5134     3.3513 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    3.3513     0.0000 
   C   9    3.8394     0.8378     0.0000 
   C  10    4.6648     1.4511     0.8378     0.0000 
   C  11    5.0269     1.6756     1.4511     0.8378     0.0000 
   C  12    4.6648     1.4511     1.6757     1.4512     0.8378     0.0000 
   C  13    3.8394     0.8378     1.4512     1.6757     1.4511     0.8378 
   H  14    0.8378     3.8394     4.1891     5.0269     5.4939     5.2322 
  Cl  15    1.4511     4.6648     5.0269     5.8647     6.3254     6.0416 

              C  13      H  14     Cl  15
              ---------------------------------
   C  13    0.0000 
   H  14    4.4333     0.0000 
  Cl  15    5.2322     0.8378     0.0000 



ATOMIC CHARGES
   N   1   -0.3066001468
   C   2    0.0985394045
   C   3    0.0859218008
   C   4    0.1541013755
   C   5    0.0859218008
   C   6    0.0985394045
   O   7   -0.2959411609
   C   8    0.0478625916
   C   9    0.0145175571
   C  10    0.0012682485
   C  11    0.0000833188
   C  12    0.0012682485
   C  13    0.0145175571
   H  14    0.1453996612
  Cl  15   -0.1453996612


BOND ANGLES
   2    1    6   C3  Npl   C3    120.003
   2    1    8   C3  Npl  Car    119.998
   6    1    8   C3  Npl  Car    119.998
   1    2    3  Npl   C3   C3    119.998
   2    3    4   C3   C3   C2    119.998
   3    4    5   C3   C2   C3    120.003
   3    4    7   C3   C2   O2    119.998
   5    4    7   C3   C2   O2    119.998
   4    5    6   C2   C3   C3    119.998
   1    6    5  Npl   C3   C3    119.998
   9    8   13  Car  Car  Car    120.003
   1    8    9  Npl  Car  Car    119.998
   1    8   13  Npl  Car  Car    119.998
   8    9   10  Car  Car  Car    119.998
   9   10   11  Car  Car  Car    119.998
  10   11   12  Car  Car  Car    120.003
  11   12   13  Car  Car  Car    119.998
   8   13   12  Car  Car  Car    119.998


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