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January 28, 2026
C2H2N4
Datos Químicos de C2H2N4
ID
723
Molecular Scaffold
gFr@ACTiTt@@@
Molecular Formula
C2H2N4
Elemental Composition %
C: 25%
H: 25%
O: 0%
N: 50%
Weight
82.0659
Programa de Cálculo
G16
SMILES
c1nncnn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HTJMXYRLEDBSLT-UHFFFAOYSA-N