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January 28, 2026
C2H2N6
Datos Químicos de C2H2N6
ID
21349
Molecular Scaffold
gKZ@AEbeKcKP@
Molecular Formula
C2H2N6
Elemental Composition %
C: 20%
H: 20%
O: 0%
N: 60%
Weight
110.08
Programa de Cálculo
G16
SMILES
N#CCn1nnnn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N6/c3-1-2-8-6-4-5-7-8/h2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BTOORWOQIRWBDE-UHFFFAOYSA-N