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January 28, 2026
C2H4N2O
Datos Químicos de C2H4N2O
ID
61
Molecular Formula
C2H4N2O
Elemental Composition %
C: 22.2222222222222%
H: 44.4444444444444%
O: 11.1111111111111%
N: 22.2222222222222%
Weight
72.0668
Programa de Cálculo
G16
SMILES
NC(C=O)=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N2O/c3-2(4)1-5/h1H,(H3,3,4)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WLXOMTDIFWATAC-UHFFFAOYSA-N