Structural and vibrational properties of three species of anti-histaminic diphenhydramine by using DFT calculations and the SQM approach
In the present work, the free base, cationic and hydrochloride species of the anti-histaminic diphenhydramine drug were theoretically studied by using the hybrid B3LYP/6-311++G** calculations in the gas phase and the experimental available infrared and Raman spectra for the hydrochloride form in the...
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| Format: | Article |
| Language: | English |
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PURKH
2018-04-01
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| Series: | To Chemistry Journal |
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| Online Access: | https://www.purkh.com/index.php/tochem/article/view/72 |