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January 28, 2026
C2H5NO
Datos Químicos de C2H5NO
ID
36
Molecular Formula
C2H5NO
Elemental Composition %
C: 22.2222222222222%
H: 55.5555555555556%
O: 11.1111111111111%
N: 11.1111111111111%
Weight
59.0677
Programa de Cálculo
G16
SMILES
CNC=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ATHHXGZTWNVVOU-UHFFFAOYSA-N