3-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-9-Ium-5-Id-8-Yl)-1-Bicyclo[2.2.2]Octanyl]Propanoic Acid

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Formula C22H33N4O4
IUPAC Name 3-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-9-ium-5-id-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid
Molecular Mass 417.522 g·mol−1
Heat of Formation -799.5 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 514.22 Å 3
Surface Area 438.19 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey VSLUPEKHVQCYPF-VNQAYRIKSA-P
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