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N-(2-Chloroethyl)pyrrolidine hydrochloride
N-(2-Chloroethyl)pyrrolidine hydrochloride ID: CHH16024
CAS:7250-67-1
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(CCCC1)CCCl.Cl	
FORMULA: C6H13Cl2N
MASS: 170.0801
EXACT MASS: 169.0425048
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7174     0.0000 
   C   3    1.1609     0.7175     0.0000 
   C   4    1.1609     1.1609     0.7175     0.0000 
   C   5    0.7175     1.1609     1.1610     0.7175     0.0000 
   C   6    0.7175     1.2786     1.8566     1.8566     1.2786     0.0000 
   C   7    1.2428     1.4986     2.1961     2.3905     1.9205     0.7175 
  Cl   8    1.8983     2.2158     2.9097     3.0590     2.5204     1.2427 
   H   9    2.4855     2.6581     3.3744     3.6290     3.1544     1.8983 
  Cl  10    3.1275     3.3577     4.0713     4.2846     3.7629     2.4855 

              C   7     Cl   8      H   9     Cl  10
              --------------------------------------------
   C   7    0.0000 
  Cl   8    0.7175     0.0000 
   H   9    1.2427     0.7175     0.0000 
  Cl  10    1.8983     1.2428     0.7175     0.0000 



ATOMIC CHARGES
   N   1   -0.2716076527
   C   2    0.0721746463
   C   3    0.0187550149
   C   4    0.0187550149
   C   5    0.0721746463
   C   6    0.0897975730
   C   7    0.1121378219
  Cl   8   -0.1121870645
   H   9    0.1453996612
  Cl  10   -0.1453996612


BOND ANGLES
   2    1    5   C3   N3   C3    108.006
   2    1    6   C3   N3   C3    126.003
   5    1    6   C3   N3   C3    125.991
   1    2    3   N3   C3   C3    108.003
   2    3    4   C3   C3   C3    107.993
   3    4    5   C3   C3   C3    108.004
   1    5    4   N3   C3   C3    107.993
   1    6    7   N3   C3   C3    119.995
   6    7    8   C3   C3   Cl    119.991


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