Hartree-Fock, Post Hartree-Fock and density functional theory studies on structure and conformational stability of N-Methylen-Formamide (NMF) and substituted compounds of NMF

The NMF is gauche in its stable conformation. When the hydrogen carried by the imidic carbon is substituted by -OH (N-Hydoxy Methylene Formamide: NHMF) the planarity of CN-CO is restored, the formation of one inter-molecular hydrogen bond would stabilize this conformer. The substitution of hydrogen by -OCH3 (N-Methoxy Methylene Formamide, NMMF) carries a gauche structure more stable than NMF.