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January 28, 2026
C3H4N4O2
Datos Químicos de C3H4N4O2
ID
127713
Molecular Scaffold
daDd@LinADfUjyjV`@
Molecular Formula
C3H4N4O2
Elemental Composition %
C: 23.0769230769231%
H: 30.7692307692308%
O: 15.3846153846154%
N: 30.7692307692308%
Weight
128.091
Programa de Cálculo
G16
SMILES
CN(C(O1)=N)N=NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N4O2/c1-7-2(4)9-3(8)5-6-7/h4H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PNSVDPXZCCBGIR-UHFFFAOYSA-N