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January 28, 2026
C4H2N4
Datos Químicos de C4H2N4
ID
21322
Molecular Scaffold
gF|@ABeJf`@@@
Molecular Formula
C4H2N4
Elemental Composition %
C: 40%
H: 20%
O: 0%
N: 40%
Weight
106.088
Programa de Cálculo
G16
SMILES
N#Cc1nncnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H2N4/c5-1-4-2-6-3-7-8-4/h2-3H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XOXCGVGVMDZKLG-UHFFFAOYSA-N