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HISTAMINE DIHYDROCHLORIDE
HISTAMINE DIHYDROCHLORIDE
ID: BP-12001
CAS:56-92-8
Supplier:BroadPharm

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SMILES:n1c(c[nH]c1)CCN.Cl.Cl	
FORMULA: C5H11Cl2N3
MASS: 184.0669
EXACT MASS: 183.0330027
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4458     0.0000 
   N   3    2.3072     2.3163     0.0000 
   C   4    1.4389     2.3448     1.4371     0.0000 
   C   5    2.3119     1.4232     1.4328     2.3333     0.0000 
   C   6    2.5491     1.4178     3.6944     3.7157     2.5407     0.0000 
  Cl   7    1.9019     2.2434     4.1108     3.3236     3.6355     2.1708 
  Cl   8    2.0768     3.3698     4.1500     2.8287     4.3884     3.9876 
   N   9    5.0449     3.7928     5.8223     6.1375     4.4376     2.4970 
   C  10    3.8240     2.4598     4.3782     4.7815     2.9868     1.4192 

             Cl   7     Cl   8      N   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
  Cl   8    2.0721     0.0000 
   N   9    4.3265     6.3425     0.0000 
   C  10    3.5633     5.4024     1.4509     0.0000 



ATOMIC CHARGES
   N   1   -0.2267683508
   C   2    0.0813413010
   N   3   -0.2212320463
   C   4    0.1986490263
   C   5    0.1153767609
   C   6    0.0679487779
  Cl   7    0.0000000000
  Cl   8    0.0000000000
   N   9   -0.1309622132
   C  10    0.1156467442


BOND ANGLES
   2    1    4  Car  Nar  Car    108.750
   1    2    5  Nar  Car  Car    107.374
   1    2    6  Nar  Car   C3    125.793
   5    2    6  Car  Car   C3    126.832
   4    3    5  Car  Nar  Car    108.789
   1    4    3  Nar  Car  Nar    106.691
   2    5    3  Car  Car  Nar    108.396
   2    6   10  Car   C3   C3    120.233
   6   10    9   C3   C3   N3    120.914


TORSION ANGLES
   5    2    1    4      0.026
   6    2    1    4    179.974
   5    3    4    1      0.026
   3    4    1    2      0.026
   3    5    2    1      0.026
   3    5    2    6    179.974
  10    6    2    1    179.974
  10    6    2    5      0.026
   9   10    6    2    179.974
   4    3    5    2      0.026