@article { author = {Jamalvandi, Rohallah}, title = {Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine}, journal = {International Journal of New Chemistry}, volume = {3}, number = {4}, pages = {93-97}, year = {2016}, publisher = {Iranian Chemical Science and Technologies Association}, issn = {2645-7237}, eissn = {2383-188X}, doi = {10.22034/ijnc.2016.34991}, abstract = {In this research at the first Promethazine drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Promethazine is not used as an antihistaminic drug for anyone. In the pharmaceutical composition of promethazine (RS) - N, N-dimethyl-1- (10H-Phenothaiazin-10 yl) -propen-2-amino, two aromatic rings In this study, halogens are connected to one of their loops and the changes in the type of halogen at the surface * HF / 6-31G are calculated. The calculations show that, by changing the type of halogen based on the variation of electronegativity of halogens, the aromatase level is as follows increase. R-F> R-Cl> R-Br. The data in tables and graphs and shapes were compared and discussed.}, keywords = {Promethazine,Hallucination Aromatization,Level HF / 6-31G}, url = {https://www.ijnc.ir/article_34991.html}, eprint = {https://www.ijnc.ir/article_34991_b50411a2ad6c64ffa9e7b1c1d0367991.pdf} }