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. Author manuscript; available in PMC: 2016 Oct 27.
Published in final edited form as: Neurochem Res. 2015 Oct 27;40(10):2131–2142. doi: 10.1007/s11064-015-1705-z

Table I. Measurement of the N-N bond distance for A-84543 and its Analogs.

These data were computed using the SYBYL system (version 7.2) running on Silicon Graphics Tezro. The Gasteiger-Huckel charge (shown for the 2 nitrogens in each of the compounds) is a measure of the partial charge on a given atom.

Structure N-N Bond distance Gasteiger-Huckel Charge (eV)
Pyridine Nitrogen Pyrrolidine Nitrogen
graphic file with name nihms733768t1.jpg 7.225 Å −0.307 −0.360
graphic file with name nihms733768t2.jpg 7.111 Å −0.307 −0.371
graphic file with name nihms733768t3.jpg 6.496 Å −0.274 −0.360
graphic file with name nihms733768t4.jpg 6.486 Å −0.274 −0.371
graphic file with name nihms733768t5.jpg 8.241 Å −0.313 −0.360
graphic file with name nihms733768t6.jpg 8.298 Å −0.313 −0.371