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January 28, 2026
CH2N6
Datos Químicos de CH2N6
ID
3839
Molecular Scaffold
gFz@ALZeJfsM@OxTRh
Molecular Formula
CH2N6
Elemental Composition %
C: 11.1111111111111%
H: 22.2222222222222%
O: 0%
N: 66.6666666666667%
Weight
98.0689
Programa de Cálculo
G16
SMILES
[NH]C=1=N[N]N[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/CH4N6/c2-1-3-5-7-6-4-1/h2,5-7H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GVABMQZYVLRVLF-UHFFFAOYSA-N