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Products Information

piperazin-2-one
piperazin-2-one
ID: BP-11215
CAS:5625-67-2
Supplier:BroadPharm

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SMILES:C1(=O)NCCNC1	
FORMULA: C4H8N2O
MASS: 100.1191
EXACT MASS: 100.0636629
INTERATOMIC DISTANCES

              C   1      N   2      N   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2471     0.0000 
   N   3    2.1654     2.4978     0.0000 
   O   4    1.2500     2.1634     3.3074     0.0000 
   C   5    1.2507     2.1625     1.2500     2.1654     0.0000 
   C   6    2.1634     1.2500     2.1625     3.3061     2.4978     0.0000 
   C   7    2.5000     2.1634     1.2507     3.7500     2.1654     1.2471 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.2591516370
   N   2   -0.2026700102
   N   3   -0.2066314782
   O   4   -0.2717730568
   C   5    0.1753399655
   C   6    0.1339449901
   C   7    0.1126379525


BOND ANGLES
   2    1    4  Nam   C2   O2    120.077
   2    1    5  Nam   C2   C3    119.941
   4    1    5   O2   C2   C3    119.982
   1    2    6   C2  Nam   C3    120.077
   5    3    7   C3   N3   C3    119.982
   1    5    3   C2   C3   N3    119.982
   2    6    7  Nam   C3   C3    120.077
   3    7    6   N3   C3   C3    119.941


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