9-[(1S)-1-[3-(2-Methoxyethoxy)Quinolin-1-Ium-4A-Id-6-Yl]Ethyl]-3-(3-Methylisothiazol-5-Yl)-Blahbicyclo[4.3.0]Nona-4,6-Dien-2-One

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Properties Simple | Detailed

Formula C23H25N6O3S
IUPAC Name 9-[(1s)-1-[3-(2-methoxyethoxy)quinolin-1-ium-4a-id-6-yl]ethyl]-3-(3-methylisothiazol-5-yl)-blahbicyclo[4.3.0]nona-4,6-dien-2-one
Molecular Mass 465.548 g·mol−1
Heat of Formation 182.1 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 516.65 Å 3
Surface Area 460.66 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey QMDKZKRHXXAKQQ-QGDMRXHLSA-O
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