The Electronic Structure of the Nitrogen Atoms of Allyl (5- pyridin-2-yl-[1,3,4]-thiadiazol-2-yl)-amine

International Journal of Molecular Sciences

关键词: Allyl-(5–pyridin–2-yl-[1;    3;    4]-thiadiazol–2–yl)-amine;    electronic structure;    tautomerism;   

DOI  :  10.3390/i7050231

来源: mdpi

【 摘 要 】

The resonance structures of allyl-(5-pyridin-2-yl-[1,3,4]-thiadiazol-2-yl)-aminehave been determined by means of its ¹H- (100 MHz, 500 MHz) ¹³C- and ¹⁵N-NMRspectra and B3LYP/6-31G* computations. The tautomeric equilibrium of this compoundhas been observed in the ¹H-NMR spectra (100 MHz).

【 授权许可】

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