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4-(3-Chloro-phenyl)-piperidine 1HCl salt
4-(3-Chloro-phenyl)-piperidine 1HCl salt ID: B204123
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cc(Cl)ccc1)C1CCNCC1	
FORMULA: C11H14ClN
MASS: 195.6886
EXACT MASS: 195.0814771
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2667     0.0000 
   C   3    0.4331     1.5310     0.0000 
   C   4    0.3959     0.8708     0.7204     0.0000 
   C   5    0.7504     1.9539     0.4334     1.1125     0.0000 
  Cl   6    1.2289     2.3174     0.8220     1.5417     0.5311     0.0000 
   C   7    0.4367     1.5300     0.7542     0.7182     0.8699     1.4004 
   C   8    0.7525     1.9530     0.8699     1.1111     0.7542     1.2519 
   C   9    1.1097     0.4352     1.2625     0.7504     1.6959     1.9919 
   C  10    1.1139     0.4387     1.4727     0.7525     1.8577     2.2933 
   C  11    0.8666     2.1333     0.7504     1.2625     0.4331     0.8503 
   C  12    0.7225     0.7561     1.1236     0.4366     1.4727     1.9419 
   C  13    0.7160     0.7541     0.8291     0.4331     1.2625     1.5747 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.4334     0.0000 
   C   9    1.4685     1.8543     0.0000 
   C  10    1.2625     1.6959     0.7541     0.0000 
   C  11    0.7525     0.4367     1.9481     1.9505     0.0000 
   C  12    0.8291     1.2625     0.8698     0.4334     1.5280     0.0000 
   C  13    1.1180     1.4685     0.4334     0.8698     1.5249     0.7541 

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



ATOMIC CHARGES
   C   1   -0.0215733852
   N   2   -0.2180289541
   C   3    0.0071196450
   C   4    0.0252224300
   C   5    0.0573584094
  Cl   6   -0.0822546718
   C   7   -0.0042223498
   C   8    0.0005428603
   C   9    0.0890319217
   C  10    0.0890319217
   C  11    0.0113739252
   C  12    0.0231991238
   C  13    0.0231991238


BOND ANGLES
   3    1    4  Car  Car   C3    120.619
   3    1    7  Car  Car  Car    120.254
   4    1    7   C3  Car  Car    119.127
   9    2   10   C3   N3   C3    119.293
   1    3    5  Car  Car  Car    120.011
   1    4   12  Car   C3   C3    120.349
   1    4   13  Car   C3   C3    119.403
  12    4   13   C3   C3   C3    120.248
   3    5    6  Car  Car   Cl    116.565
   3    5   11  Car  Car  Car    120.011
   6    5   11   Cl  Car  Car    123.424
   1    7    8  Car  Car  Car    119.735
   7    8   11  Car  Car  Car    119.735
   2    9   13   N3   C3   C3    120.490
   2   10   12   N3   C3   C3    120.218
   5   11    8  Car  Car  Car    120.254
   4   12   10   C3   C3   C3    119.742
   4   13    9   C3   C3   C3    120.011


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