Ilavsky, D.; Kuthan, J. published an article about the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1 ).Application of 1195-58-0. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1195-58-0) through the article.
Quantum-chem. interpretation is given for the UV spectra of mono-, di-, and trimethylated title compounds using the limited-configuration-interaction method on the bases of Hueckel MO and SCF wave functions. Results of both procedures agree well with exptl. The modifications agree also in qualities of individual transitions and weights of configurations. The influence of Me-group on 3,5-dicyanopyridine skeleton was followed by the electron d. change.
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