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(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine
(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine ID: API-9406
CAS:130018-88-1
Supplier:APIchem

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SMILES:N1(CCNCC1)C(c1ccccc1)c1ccc(cc1)Cl	ChemMol.com
FORMULA: C17H19ClN2
MASS: 286.7992
EXACT MASS: 286.1236763
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   N   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    1.5230     2.6379     4.0295     4.5690     4.0295     2.6379 
   C   8    2.6379     4.0295     5.2758     5.4912     4.5690     3.0460 
   C   9    3.0460     4.5690     5.4913     5.2758     4.0295     2.6379 
   C  10    4.5689     6.0920     6.9792     6.6386     5.2758     4.0295 
   C  11    5.4912     6.9792     8.0589     7.9137     6.6386     5.2758 
   C  12    5.2758     6.6386     7.9138     8.0590     6.9793     5.4913 
   C  13    4.0295     5.2758     6.6386     6.9793     6.0920     4.5690 
   C  14    2.6379     3.0460     4.5690     5.4913     5.2758     4.0295 
   C  15    4.0295     4.5690     6.0920     6.9793     6.6386     5.2758 
   C  16    5.2758     5.4912     6.9793     8.0590     7.9137     6.6386 
   C  17    5.4913     5.2758     6.6386     7.9138     8.0589     6.9792 
   C  18    4.5690     4.0295     5.2758     6.6386     6.9792     6.0920 
   C  19    3.0460     2.6379     4.0295     5.2758     5.4912     4.5689 
  Cl  20    6.9793     6.6386     7.9138     9.2641     9.5111     8.4797 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    2.6379     1.5230     0.0000 
   C  10    4.0294     2.6379     1.5230     0.0000 
   C  11    4.5689     3.0460     2.6379     1.5230     0.0000 
   C  12    4.0295     2.6379     3.0460     2.6379     1.5230     0.0000 
   C  13    2.6379     1.5230     2.6379     3.0460     2.6379     1.5230 
   C  14    1.5230     2.6379     4.0295     5.2758     5.4912     4.5690 
   C  15    2.6379     3.0460     4.5690     5.4912     5.2758     4.0295 
   C  16    4.0295     4.5689     6.0920     6.9792     6.6385     5.2758 
   C  17    4.5690     5.4912     6.9793     8.0589     7.9137     6.6386 
   C  18    4.0295     5.2758     6.6386     7.9137     8.0589     6.9793 
   C  19    2.6379     4.0294     5.2758     6.6385     6.9792     6.0920 
  Cl  20    6.0921     6.9793     8.4798     9.5111     9.2641     7.9138 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.0460     0.0000 
   C  15    2.6379     1.5230     0.0000 
   C  16    4.0294     2.6379     1.5230     0.0000 
   C  17    5.2758     3.0460     2.6379     1.5230     0.0000 
   C  18    5.4912     2.6379     3.0460     2.6379     1.5230     0.0000 
   C  19    4.5689     1.5230     2.6379     3.0460     2.6379     1.5230 
  Cl  20    6.6386     4.5690     4.0295     2.6380     1.5230     2.6379 

              C  19     Cl  20
              ----------------------
   C  19    0.0000 
  Cl  20    4.0295     0.0000 



ATOMIC CHARGES
   N   1   -0.2643005243
   C   2    0.0916088856
   C   3    0.1060481822
   N   4   -0.2151147139
   C   5    0.1060481822
   C   6    0.0916088856
   C   7    0.1030638657
   C   8   -0.0036297076
   C   9   -0.0026471378
   C  10   -0.0002691978
   C  11   -0.0000186698
   C  12   -0.0002691978
   C  13   -0.0026471378
   C  14   -0.0035766463
   C  15   -0.0017816075
   C  16    0.0111248652
   C  17    0.0576531201
   C  18    0.0111248652
   C  19   -0.0017816075
  Cl  20   -0.0822447037


BOND ANGLES
   2    1    6   C3   N3   C3    120.000
   2    1    7   C3   N3   C3    119.999
   6    1    7   C3   N3   C3    120.001
   1    2    3   N3   C3   C3    119.999
   2    3    4   C3   C3   N3    119.999
   3    4    5   C3   N3   C3    120.000
   4    5    6   N3   C3   C3    120.001
   1    6    5   N3   C3   C3    120.001
   8    7   14  Car   C3  Car    120.000
   1    7    8   N3   C3  Car    120.001
   1    7   14   N3   C3  Car    119.999
   9    8   13  Car  Car  Car    119.999
   7    8    9   C3  Car  Car    120.000
   7    8   13   C3  Car  Car    120.001
   8    9   10  Car  Car  Car    120.000
   9   10   11  Car  Car  Car    120.001
  10   11   12  Car  Car  Car    120.001
  11   12   13  Car  Car  Car    120.000
   8   13   12  Car  Car  Car    119.999
  15   14   19  Car  Car  Car    120.001
   7   14   15   C3  Car  Car    119.999
   7   14   19   C3  Car  Car    120.000
  14   15   16  Car  Car  Car    120.001
  15   16   17  Car  Car  Car    120.000
  16   17   18  Car  Car  Car    119.999
  16   17   20  Car  Car   Cl    120.002
  18   17   20  Car  Car   Cl    119.999
  17   18   19  Car  Car  Car    119.999
  14   19   18  Car  Car  Car    120.000


TORSION ANGLES
   6    1    2    3      0.026
   7    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
   7    1    6    5    179.974
  13    8    9   10      0.026
   7    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
   7    8   13   12    179.974
  14    7    8    9    179.974
  14    7    8   13      0.026
   1    7    8    9      0.026
   1    7    8   13    179.974
  19   14   15   16      0.026
   7   14   15   16    179.974
  14   15   16   17      0.026
  15   16   17   18      0.026
  15   16   17   20    179.974
  16   17   18   19      0.026
  20   17   18   19    179.974
  17   18   19   14      0.026
  15   14   19   18      0.026
   7   14   19   18    179.974
   8    7   14   15      0.026
   8    7   14   19    179.974
   1    7   14   15    179.974
   1    7   14   19      0.026
   2    1    7    8    179.974
   2    1    7   14      0.026
   6    1    7    8      0.026
   6    1    7   14    179.974


CHIRAL ATOMS
   6    1    7   14    179.974