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January 28, 2026
C2H2N4
Datos Químicos de C2H2N4
ID
724
Molecular Scaffold
gFr@ALTiTvZXABbE@
Molecular Formula
C2H2N4
Elemental Composition %
C: 25%
H: 25%
O: 0%
N: 50%
Weight
82.0659
Programa de Cálculo
G16
SMILES
C1=N[N]N=C[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N4/c1-3-2-5-6-4-1/h1-2,6H,(H,3,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MEHGWHWVCZWLIZ-UHFFFAOYSA-N