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January 28, 2026
C2H6N2O
Datos Químicos de C2H6N2O
ID
75
Molecular Formula
C2H6N2O
Elemental Composition %
C: 18.1818181818182%
H: 54.5454545454545%
O: 9.09090909090909%
N: 18.1818181818182%
Weight
74.0826
Programa de Cálculo
G16
SMILES
CNC(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XGEGHDBEHXKFPX-UHFFFAOYSA-N