Fourier-transform infrared and Raman spectra, vibrational assignment and density functional theory calculations of 1,4,5-triazanaphthalene was written by Krishnakumar, V.;Ramasamy, R.. And the article was included in Journal of Raman Spectroscopy in 2009.Computed Properties of C7H5N3 This article mentions the following:
The Fourier-transform IR (FT-IR) (4000-50 cm-1) and Raman spectra (3500-100 cm-1) of 1,4,5-triazanaphthalene in polycrystalline state were measured. Comparison between the spectra by 2 techniques, a series of d. functional theory (DFT) calculations and the spectral behavior upon deuteration were used for the assignment of the vibrational spectra of the title compound The calculated vibrational wavenumbers by the B3LYP d. functionals are generally consistent with the observed spectra. In the experiment, the researchers used many compounds, for example, Pyrido[2,3-b]pyrazine (cas: 322-46-3Computed Properties of C7H5N3).
Pyrido[2,3-b]pyrazine (cas: 322-46-3) belongs to pyrazine derivatives. Pyrazine is a symmetrical molecule with point group D2h. Pyrazine is less basic than pyridine, pyridazine and pyrimidine. Pyrazine-based skeletons were incorporated into agents targeting a range of ailments. Many derivatives were synthesized and evaluated as potential cancer treatments.Computed Properties of C7H5N3