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January 28, 2026
C5H11N3O
Datos Químicos de C5H11N3O
ID
99720
Molecular Formula
C5H11N3O
Elemental Composition %
C: 25%
H: 55%
O: 5%
N: 15%
Weight
129.162
Programa de Cálculo
G16
SMILES
CCN(C(C)=N)C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H11N3O/c1-3-8(4(2)6)5(7)9/h6H,3H2,1-2H3,(H2,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OBSMFQBQZZGXPF-UHFFFAOYSA-N