CONFORMATIONAL-ANALYSIS OF BICYCLIC SYSTEMS INCLUDING THE N-C-O UNIT BY MOLECULAR MECHANICS .1. PERHYDROPYRIDO [1,2-C] [1,3] OXAZINES

被引：9

作者：

FERNANDEZ, B

CARBALLEIRA, L

RIOS, MA

机构：

[1] Departamento de Química Física, Universidad de Santiago de Compostela

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1991年 / 245卷 / 1-2期

关键词：

D O I：

10.1016/0022-2860(91)87006-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Perhydropyrido [1,2-c] [1,3] oxazine and some of its derivatives, all of which contain the N-C-O unit, were conformationally analysed using a molecular mechanics force field obtained from the MM285 field of Allinger et al. The results (energetic stabilities and geometries of the different conformers) were consistent with experimental data (NMR, X-ray and IR spectra, and dipole moments) available for these systems.

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页码：53 / 67

页数：15

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