Molecular modelling of 7-hydroxy-3-(1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one and 4, 8-dihydroxy-6-methoxy-3,4,5-trimethylisochroman-1 one using MOPAC software.

Molecular modelling of 7-hydroxy-3-(1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one and 4, 8-dihydroxy-6-methoxy-3,4,5-trimethylisochroman-1 one using MOPAC software.

Detalhes bibliográficos
Autor principal: Tayone, Wilanfranco C.
Formato: Artigo
Idioma:English
Assuntos:
Benzofuranone.
Molecular modelling.
Molecular Orbital Package.
Nuclear Magnetic Resonance.
Theoretical calculation.
Z-matrix.