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January 28, 2026
C2H2N6
Datos Químicos de C2H2N6
ID
21380
Molecular Scaffold
dae`@@aLidiUInZZZ@@
Molecular Formula
C2H2N6
Elemental Composition %
C: 20%
H: 20%
O: 0%
N: 60%
Weight
110.08
Programa de Cálculo
G16
SMILES
c1nn2nnnc2[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N6/c1-3-2-5-6-7-8(2)4-1/h1H,(H,3,4,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YULOZENVPDKYHH-UHFFFAOYSA-N