7-[3-[4-(4-Fluorobenzoyl)-1-Piperidyl]Propyl]-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C22H27FN5O3
IUPAC Name 7-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 428.480 g·mol−1
Heat of Formation -472.3 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 507.46 Å 3
Surface Area 432.21 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey SMEBLDYINSRGBK-UHFFFAOYSA-P
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