Abu-Eittah, Rafie H. published the artcileMolecular-orbital treatment of some heterocycles with three hetero-atoms and their benzo-derivatives, Recommanded Product: 4H-1,2,4-Triazole, the publication is International Journal of Quantum Chemistry (1985), 28(6), 731-40, database is CAplus.
MO INDO procedures were carried out on the tautomers of 1,2,4-triazole and its benzo derivative as well as on 1,2,5-oxadiazole and its benzo derivative Calculations of the transition energy as well as the dipole moment helped to predict the predominant tautomer in an equilibrium mixture The correspondence between the calculated and observed data is satisfactory. The results of calculations indicated some differences in the electronic structures of the tautomers of a compound
International Journal of Quantum Chemistry published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Recommanded Product: 4H-1,2,4-Triazole.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics