3-(5-Benzyl-1-Oxa-4-Azonia-2-Azanidacyclopenta-3,4-Dien-3-Yl)-6-Fluoro-1-[[2-Fluoro-4-(Trifluoromethyl)Phenyl]Methyl]-7-(4-Methylpiperazin-1-Yl)Quinolin-1-Ium-3-Id-4-One

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Properties Simple | Detailed

Formula C31H27F5N5O2++
IUPAC Name 3-(5-benzyl-1-oxa-4-azonia-2-azanidacyclopenta-3,4-dien-3-yl)-6-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(4-methylpiperazin-1-yl)quinolin-1-ium-3-id-4-one
Molecular Mass 596.570 g·mol−1
Heat of Formation -676.0 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 655.75 Å 3
Surface Area 528.15 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
InChIKey IKVKVMRDNONWBL-UHFFFAOYSA-O
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