Kurzepa, M. published the artcileTheoretical studies on tautomerism and IR spectra of C-5 substituted imidazoles, Safety of 5-Fluoro-1H-imidazole, the main research area is theor tautomerism IR substituted imidazole.
Total energy, Gibbs free energy, the highest π and σ electronic states, and IR spectra were calculated for twelve C-5 substituted imidazoles at the MP2/6-311++G** level. The COOH and BH2 groups stabilize strongly the N1-H tautomer, the F and OH groups stabilize strongly the N3-H tautomer, whereas the NH2 and NO2 groups favors the N3-H tautomer with a similar, medium strength. The calculated IR spectra of the imidazoles studied reveal differences between the two tautomers, but they do not follow the order of derivatives emerging from the energetics.
Journal of Molecular Structure published new progress about Amino group. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Safety of 5-Fluoro-1H-imidazole.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem