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January 28, 2026
C4H8N4O
Datos Químicos de C4H8N4O
ID
127083
Molecular Formula
C4H8N4O
Elemental Composition %
C: 23.5294117647059%
H: 47.0588235294118%
O: 5.88235294117647%
N: 23.5294117647059%
Weight
128.135
Programa de Cálculo
G16
SMILES
CN(C)[C@@](C(N)=O)[N][N]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H12N4O/c1-8(2)4(7-6)3(5)9/h4,7H,6H2,1-2H3,(H2,5,9)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CKYLOFQMPCXZOU-BYPYZUCNSA-N