The infectious diseases are one the most important causes of mortality in the world. Two of these are the American trypanosomiasis or Chagas disease and the African trypanosomiasis or sleeping sickness. At this moment there exist some medicines to fight them, but they are not effective in the chronic stage. Thus, there are a number of drugs being developed, among them megazol and its derivatives. In this work, some electrical, optical and magnetic properties have been determined for megazol, by using Density Functional Theory and a model chemistry called CHIH-DFT, which uses a modification of the hybrid functional PBE0 named PBEg, where G is a structure factor. Also, a NICS study of aromaticity is included.