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Malononitrile
Malononitrile
ID: BP-11270
CAS:109-77-3
Supplier:BroadPharm

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SMILES:N#CCC#N	
FORMULA: C3H2N2
MASS: 66.0614
EXACT MASS: 66.0217981
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5
              -------------------------------------------------------
   N   1    0.0000 
   N   2    4.3250     0.0000 
   C   3    1.2507     3.3014     0.0000 
   C   4    3.3054     1.2471     2.1625     0.0000 
   C   5    2.4978     2.4978     1.2471     1.2507     0.0000 



ATOMIC CHARGES
   N   1   -0.1947463034
   N   2   -0.1947463034
   C   3    0.0897953899
   C   4    0.0897953899
   C   5    0.2099018271


BOND ANGLES
   1    3    5   N1   C1   C3    179.906
   2    4    5   N1   C1   C3    179.906
   3    5    4   C1   C3   C1    119.941


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