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C3H4N2O2N2

Datos Químicos de C3H4N2O2N2

ID

129654

Molecular Formula

C3H4N2O2N2

Elemental Composition %

C: 23.0769230769231%
H: 30.7692307692308%
O: 15.3846153846154%
N: 30.7692307692308%

Weight

128.091

Programa de Cálculo

G16

SMILES

NC(C(N)=O)=C=O.N#N

Nivel de Teoría

B3LYP/6-31G(2df, p)

InChI

InChI=1S/C3H4N2O2.N2/c4-2(1-6)3(5)7;1-2/h4H2,(H2,5,7);

Calculation Keys

# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx

InChIKey

FETUVDMPBPATNV-UHFFFAOYSA-N

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