N-(4-{(1S)-1-[3-(3,5-Dichlorophenyl)-5-(6-Methoxy-2-Naphthyl)-1H-Pyrazol-1-Yl]Ethyl}Benzoyl)-β-Alanine

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Properties Simple | Detailed

Formula C23H37Cl2N3O4
IUPAC Name ammonia; (e)-2-[4-[5-isopropyl-2-[(1s)-1-phenylethyl]pyrazol-3-yl]-2-methyl-phenyl]ethenol; dichloride; trihydrate
Molecular Mass 490.464 g·mol−1
Heat of Formation -323.5 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 667.1 Å 3
Surface Area 512.2 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
InChIKey DNTVJEMGHBIUMW-IBGZPJMESA-N
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Elements H C N O Cl