采用半经验量子化学方法AM1对新农药咪蚜胺分子的电子结构与构象进行了研究。优化了分子的几何构型参数 ;计算了势能面、静电势分布、前线分子轨道能级及原子净电荷 ;并从理论上分析探讨了咪蚜胺水解反应易于发生的可能构象。为该农药的进一步研究提供了有用信息 The semi-empirical quantum chemical method AM1 was used to study the electronic structure and conformation of the new pesticide amephine amine. The geometric configuration parameters of the molecule were optimized. The potential energy surface, the electrostatic potential distribution, the frontier molecular orbital energy level and the atomic net charge were calculated. The possible conformations in which the hydrolysis of imazethapyr occurred easily were discussed theoretically. It provided useful information for the further research of this pesticide