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October 10, 2024
C2H5NO
C2H5NO
ID
19
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
CC(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DLFVBJFMPXGRIB-UHFFFAOYSA-N