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January 28, 2026
C4H8N4
Datos Químicos de C4H8N4
ID
20973
Molecular Scaffold
gK@AbeKbuPC~Dlr@
Molecular Formula
C4H8N4
Elemental Composition %
C: 25%
H: 50%
O: 0%
N: 25%
Weight
112.136
Programa de Cálculo
G16
SMILES
CN(C)[C@]1N=C[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H10N4/c1-8(2)4-5-3-6-7-4/h3-4,7H,1-2H3,(H,5,6)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AOJAGPOOBABSAN-BYPYZUCNSA-N