N-{4-[(3S)-4'-Oxo-1',4',5',6'-Tetrahydrospiro[Piperidine-3,7'-Pyrrolo[3,2-C]Pyridin]-2'-Yl]-2-Pyridinyl}-3-(Trifluoromethyl)Benzamide

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Properties Simple | Detailed

Formula C24H22F3N5O2
IUPAC Name n-[4-[(7s)-4-oxospiro[5,6-dihydropyrrolo[3,2-c]pyridin-1-ium-7a-ylium-7,3'-piperidine]-2-yl]-2-pyridyl]-3-(trifluoromethyl)benzamide
Molecular Mass 469.459 g·mol−1
Heat of Formation -644.4 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 517.0 Å 3
Surface Area 451.42 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey FEVPBNYNYKIJAR-QHCPKHFHSA-N
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Elements H C F O N