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January 28, 2026
C3H2N4O
Datos Químicos de C3H2N4O
ID
21402
Molecular Scaffold
gF}@HZDi[Veh@
Molecular Formula
C3H2N4O
Elemental Composition %
C: 30%
H: 20%
O: 10%
N: 40%
Weight
110.076
Programa de Cálculo
G16
SMILES
N=C1ON=C(C#N)N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N4O/c4-1-2-6-3(5)8-7-2/h(H2,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WEFDLJVQMNIDIF-UHFFFAOYSA-N