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January 28, 2026
C4HN3O2
Datos Químicos de C4HN3O2
ID
42387
Molecular Formula
C4HN3O2
Elemental Composition %
C: 40%
H: 10%
O: 20%
N: 30%
Weight
123.071
Programa de Cálculo
G16
SMILES
N=C(C#N)OC(C#N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4HN3O2/c5-1-3(7)9-4(8)2-6/h7H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DPSFPKDYZKGCBR-UHFFFAOYSA-N