1'-(2H-Indazol-5-Ylcarbonyl)-1-Isopropyl-1,4-Dihydrospiro[Indazole-5,4'-Piperidin]-7(6H)-One

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Properties Simple | Detailed

Formula C22H25N5O2
IUPAC Name 1'-(7h-indazol-2-ium-7-ide-5-carbonyl)-1-isopropyl-spiro[4,6-dihydroindazol-1-ium-3a-ide-5,4'-piperidine]-7-one
Molecular Mass 391.466 g·mol−1
Heat of Formation 43.3 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 470.07 Å 3
Surface Area 391.29 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey BJMKYJZZEBEMKH-UHFFFAOYSA-N
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