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January 28, 2026
C2HN4OCH
Datos Químicos de C2HN4OCH
ID
21352
Molecular Scaffold
gKU@I`eKcRpC~H@
Molecular Formula
C2HN4OCH
Elemental Composition %
C: 30%
H: 20%
O: 10%
N: 40%
Weight
110.076
Programa de Cálculo
G16
SMILES
[NH][N]c1[c]nno1.[H].[C]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3N4O.CH4.H2/c3-5-2-1-4-6-7-2;;/h1,3,5H;1H4;1H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SQRURQMYGMLFFG-UHFFFAOYSA-N