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February 4, 2025
C2H3NO
C2H3NO
ID
34
Molecular Formula
C2H3NO
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 14.2857142857143%
N: 14.2857142857143%
Weight
57.0518
Programa de Cálculo
G16
SMILES
N#CCO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LTYRAPJYLUPLCI-UHFFFAOYSA-N