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January 28, 2026
C4H3NO2N2
Datos Químicos de C4H3NO2N2
ID
129150
Molecular Formula
C4H3NO2N2
Elemental Composition %
C: 33.3333333333333%
H: 25%
O: 16.6666666666667%
N: 25%
Weight
125.087
Programa de Cálculo
G16
SMILES
[NH][C][C](C=O)C=O.N#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4NO2.N2/c5-1-4(2-6)3-7;1-2/h2-5H;
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WJKXGGGJJWGRGD-UHFFFAOYSA-N