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Piperazine-2-carboxylic acid dihydrochloride
Piperazine-2-carboxylic acid dihydrochloride ID: API-9382
CAS:3022-15-9
Supplier:APIchem

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SMILES:N1C(CNCC1)C(=O)O.Cl.Cl	ChemMol.com
FORMULA: C5H12Cl2N2O2
MASS: 203.0670
EXACT MASS: 202.0275830
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    2.6379     1.5230     2.6379     4.0294     4.5689     4.0295 
   O   8    4.0295     2.6379     3.0460     4.5689     5.4912     5.2758 
   O   9    3.0460     2.6379     4.0295     5.2758     5.4912     4.5690 
  Cl  10    2.4081     3.8829     4.6029     4.2448     2.9563     1.6218 
  Cl  11    3.2308     4.4403     5.8190     6.2231     5.4267     3.9121 

              C   7      O   8      O   9     Cl  10     Cl  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    1.5230     0.0000 
   O   9    1.5230     2.6379     0.0000 
  Cl  10    5.0203     6.4374     5.1042     0.0000 
  Cl  11    4.6699     6.1681     3.8239     3.0460     0.0000 



ATOMIC CHARGES
   N   1   -0.2056054650
   C   2    0.1932554886
   C   3    0.1175967441
   N   4   -0.2144642205
   C   5    0.1075372594
   C   6    0.1080752931
   C   7    0.3817183939
   O   8   -0.2440567468
   O   9   -0.2440567468
  Cl  10    0.0000000000
  Cl  11    0.0000000000


BOND ANGLES
   2    1    6   C3   N3   C3    119.999
   1    2    3   N3   C3   C3    119.999
   1    2    7   N3   C3  Cac    120.001
   3    2    7   C3   C3  Cac    120.000
   2    3    4   C3   C3   N3    120.000
   3    4    5   C3   N3   C3    120.001
   4    5    6   N3   C3   C3    120.001
   1    6    5   N3   C3   C3    120.000
   8    7    9 O.co2  Cac O.co2    119.999
   2    7    8   C3  Cac O.co2    120.001
   2    7    9   C3  Cac O.co2    120.000


TORSION ANGLES
   6    1    2    3      0.026
   6    1    2    7    179.974
   1    2    3    4      0.026
   7    2    3    4    179.974
   2    3    4    5      0.026
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
   1    2    7    8    179.974
   1    2    7    9      0.026
   3    2    7    8      0.026
   3    2    7    9    179.974


CHIRAL ATOMS
   3    2    7    9    179.974