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January 28, 2026
C4H4N2
Datos Químicos de C4H4N2
ID
217
Molecular Scaffold
gFt@AdiTt@@@
Molecular Formula
C4H4N2
Elemental Composition %
C: 40%
H: 40%
O: 0%
N: 20%
Weight
80.0898
Programa de Cálculo
G16
SMILES
c1cncnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CZPWVGJYEJSRLH-UHFFFAOYSA-N