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January 28, 2026
C4H8N4
Datos Químicos de C4H8N4
ID
10018
Molecular Formula
C4H8N4
Elemental Composition %
C: 25%
H: 50%
O: 0%
N: 25%
Weight
112.136
Programa de Cálculo
G16
SMILES
C/N=C/N(C=N)C=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4/c1-7-4-8(2-5)3-6/h2-6H,1H3/b5-2?,6-3?,7-4+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NKSDKWNCFYASCC-MPQBSBGWSA-N