• evaluation of the effect of changes in halogenated compounds on nics of promethazine

    نویسندگان :
    جزئیات بیشتر مقاله
    • تاریخ ارائه: 1400/11/07
    • تاریخ انتشار در تی پی بین: 1400/11/07
    • تعداد بازدید: 146
    • تعداد پرسش و پاسخ ها: 0
    • شماره تماس ژورنال: 09122976055

    evaluation of the effect of changes in halogenated compounds on nics of promethazine

    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.

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