N-Cyclopropyl-1-[3-[2-(1-Oxidopiperidine-2,3,4,5,6-Pentaid-3-Yl)Ethynyl]Phenyl]-4-Oxo-1,8-Naphthyridin-8-Ium-4A-Ide-3-Carboxamide

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Properties Simple | Detailed

Formula C25H25N4O3+
IUPAC Name n-cyclopropyl-1-[3-[2-(1-oxidopiperidine-2,3,4,5,6-pentaid-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridin-8-ium-4a-ide-3-carboxamide
Molecular Mass 429.491 g·mol−1
Heat of Formation 398.4 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 486.17 Å 3
Surface Area 444.4 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey SYPGBYWXEDNIMS-UHFFFAOYSA-O
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