3-[2-(4-Azido-3-Iodo-Phenyl)Ethyl]-8-Cyclopentyl-1-Propyl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C21H26IN7O2
IUPAC Name 3-[2-(4-azido-3-iodo-phenyl)ethyl]-8-cyclopentyl-1-propyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 535.381 g·mol−1
Heat of Formation 129.1 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 531.11 Å 3
Surface Area 389.31 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey SGKMLXVUSLDCLW-UHFFFAOYSA-P
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