2'-[2-(1,3-Benzodioxol-5-Yl)-4-Pyrimidinyl]-5',6'-Dihydrospiro[Piperidine-4,7'-Pyrrolo[3,2-C]Pyridin]-4'(1'H)-One

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Properties Simple | Detailed

Formula C22H21N5O3
IUPAC Name 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydropyrrolo[3,2-c]pyridin-1-ium-3a-ide-7,4'-piperidine]-4-one
Molecular Mass 403.434 g·mol−1
Heat of Formation -29.8 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 452.2 Å 3
Surface Area 396.5 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey QSDGMDKMSSYMKU-UHFFFAOYSA-N
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