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trans-2,5-Dimethylpiperazine
trans-2,5-Dimethylpiperazine
ID: BP-11311
CAS:2815-34-1
Supplier:BroadPharm

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SMILES:N1[C@@H](CN[C@H](C1)C)C	
FORMULA: C6H14N2
MASS: 114.1888
EXACT MASS: 114.1156985
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1650     1.2500     0.0000 
   N   4    2.4999     2.1650     1.2500     0.0000 
   C   5    2.1650     2.5000     2.1650     1.2500     0.0000 
   C   6    1.2500     2.1650     2.4999     2.1650     1.2500     0.0000 
   C   7    3.3072     3.7500     3.3072     2.1650     1.2500     2.1650 
   C   8    2.1650     1.2500     2.1650     3.3072     3.7500     3.3072 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    5.0000     0.0000 



ATOMIC CHARGES
   N   1   -0.2165324536
   C   2    0.0902230216
   C   3    0.1059772810
   N   4   -0.2165324536
   C   5    0.0902230216
   C   6    0.1059772810
   C   7    0.0203321510
   C   8    0.0203321510


BOND ANGLES
   2    1    6   C3   N3   C3    120.001
   1    2    3   N3   C3   C3    119.999
   1    2    8   N3   C3   C3    120.001
   3    2    8   C3   C3   C3    120.001
   2    3    4   C3   C3   N3    120.001
   3    4    5   C3   N3   C3    120.001
   4    5    6   N3   C3   C3    119.999
   4    5    7   N3   C3   C3    120.001
   6    5    7   C3   C3   C3    120.001
   1    6    5   N3   C3   C3    120.001


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


CHIRAL ATOMS
   2    1    6    5      0.026
   2    1    6    5      0.026