3-(5-Benzyl-1,2,4-Oxadiazol-3-Yl)-6-Fluoro-1-[2-Fluoro-4-(Trifluoromethyl)Benzyl]-7-(4-Methyl-1-Piperazinyl)-4(1H)-Quinolinone

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Properties Simple | Detailed

Formula C31H52F5N5O2++
IUPAC Name 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(4-methylpiperazin-1-yl)quinolin-4-one
Molecular Mass 621.769 g·mol−1
Heat of Formation -676.3 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 656.92 Å 3
Surface Area 527.94 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
InChIKey BZDUJTPAUCQOHN-UHFFFAOYSA-N
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