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1-ISOPROPYLPIPERAZINE
1-ISOPROPYLPIPERAZINE
ID: BP-10533
CAS:4318-42-7
Supplier:BroadPharm

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SMILES:N1(C(C)C)CCNCC1	
FORMULA: C7H16N2
MASS: 128.2153
EXACT MASS: 128.1313485
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    3.0083     0.0000 
   C   3    1.5042     4.5125     0.0000 
   C   4    1.5008     2.6057     2.6022     0.0000 
   C   5    1.5080     2.6099     2.6064     2.6083     0.0000 
   C   6    2.6099     1.5080     3.9835     3.0130     1.5083     0.0000 
   C   7    2.6057     1.5008     3.9808     1.5083     3.0130     2.6083 
   C   8    2.6760     5.5250     1.5054     3.1301     4.0261     5.2843 
   C   9    2.6649     5.5128     1.4982     4.0112     3.1178     4.6258 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    4.6381     0.0000 
   C   9    5.2694     2.4500     0.0000 



ATOMIC CHARGES
   N   1   -0.2715335530
   N   2   -0.2151151361
   C   3    0.0576732345
   C   4    0.0911158681
   C   5    0.0911158681
   C   6    0.1060320691
   C   7    0.1060320691
   C   8    0.0173397901
   C   9    0.0173397901


BOND ANGLES
   7    2    6   C3   N3   C3    120.194
   2    6    5   N3   C3   C3    119.824
   6    2    7   C3   N3   C3    120.194
   2    7    4   N3   C3   C3    119.982


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     3 is chiral: counterclockwise