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January 28, 2026
C5HN3O
Datos Químicos de C5HN3O
ID
130667
Molecular Scaffold
gOu@DPdrm[Tl@aIG`
Molecular Formula
C5HN3O
Elemental Composition %
C: 50%
H: 10%
O: 10%
N: 30%
Weight
119.083
Programa de Cálculo
G16
SMILES
N#CC1=C[C]=N[N]C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H3N3O/c6-3-4-1-2-7-8-5(4)9/h1-2H,(H,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CPZLKSSMZLLSBN-UHFFFAOYSA-N