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January 28, 2026
C4H9N3O
Datos Químicos de C4H9N3O
ID
7413
Molecular Formula
C4H9N3O
Elemental Composition %
C: 23.5294117647059%
H: 52.9411764705882%
O: 5.88235294117647%
N: 17.6470588235294%
Weight
115.135
Programa de Cálculo
G16
SMILES
CC(N(C)C(N)=O)=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H9N3O/c1-3(5)7(2)4(6)8/h5H,1-2H3,(H2,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KDCAWFUEVRENEL-UHFFFAOYSA-N