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4-(3,4-Dichloro-phenyl)-piperidine 1HCl salt
4-(3,4-Dichloro-phenyl)-piperidine 1HCl salt ID: B204125
CAS:99329-54-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cc(ccc1Cl)C1CCNCC1)Cl	
FORMULA: C11H13Cl2N
MASS: 230.1336
EXACT MASS: 229.0425048
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7541     0.0000 
   C   3    0.4333     0.4352     0.0000 
   C   4    0.4331     0.8709     0.7504     0.0000 
   N   5    1.9538     1.2625     1.5311     2.1334     0.0000 
   C   6    0.8662     0.4352     0.7500     0.7504     1.5291     0.0000 
   C   7    0.7500     0.7541     0.8662     0.4331     1.9523     0.4333 
   C   8    1.1124     0.3916     0.7203     1.2625     0.8709     0.7160 
  Cl   9    0.4734     1.1798     0.7744     0.7959     2.2785     1.3392 
  Cl  10    0.7541     1.3084     1.1503     0.4375     2.5709     1.1503 
   C  11    1.7000     1.1110     1.2667     1.9530     0.4367     1.4721 
   C  12    1.8597     1.1124     1.4742     1.9538     0.4331     1.2667 
   C  13    1.2625     0.7146     0.8292     1.5260     0.7561     1.1181 
   C  14    1.4706     0.7168     1.1208     1.5270     0.7541     0.8292 

              C   7      C   8     Cl   9     Cl  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.1096     0.0000 
  Cl   9    1.1908     1.4946     0.0000 
  Cl  10    0.7541     1.7000     0.9082     0.0000 
   C  11    1.8581     0.7561     1.9624     2.3839     0.0000 
   C  12    1.7000     0.7541     2.2482     2.3845     0.7541     0.0000 
   C  13    1.4685     0.4367     1.5379     1.9530     0.4375     0.8718 
   C  14    1.2625     0.4331     1.8891     1.9538     0.8718     0.4375 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.7541     0.0000 



ATOMIC CHARGES
   C   1    0.0678847131
   C   2   -0.0215201132
   C   3    0.0079729957
   C   4    0.0681779422
   N   5   -0.2180289541
   C   6   -0.0033565648
   C   7    0.0119247226
   C   8    0.0252231097
  Cl   9   -0.0813749689
  Cl  10   -0.0813649787
   C  11    0.0890319217
   C  12    0.0890319217
   C  13    0.0231991266
   C  14    0.0231991266


BOND ANGLES
   3    1    4  Car  Car  Car    120.022
   3    1    9  Car  Car   Cl    117.242
   4    1    9  Car  Car   Cl    122.736
   3    2    8  Car  Car   C3    121.101
   3    2    6  Car  Car  Car    118.998
   6    2    8  Car  Car   C3    119.901
   1    3    2  Car  Car  Car    120.501
   1    4    7  Car  Car  Car    119.956
   1    4   10  Car  Car   Cl    120.022
   7    4   10  Car  Car   Cl    120.022
  11    5   12   C3   N3   C3    120.225
   2    6    7  Car  Car  Car    120.501
   4    7    6  Car  Car  Car    120.022
   2    8   13  Car   C3   C3    119.153
   2    8   14  Car   C3   C3    120.622
  13    8   14   C3   C3   C3    120.225
   5   11   13   N3   C3   C3    119.753
   5   12   14   N3   C3   C3    120.022
   8   13   11   C3   C3   C3    119.753
   8   14   12   C3   C3   C3    120.022


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