3-[4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Bicyclo[2.2.2]Oct-1-Yl]Propanoic Acid

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Formula C22H33N4O4
IUPAC Name 3-[4-(2,6-dioxo-1,3-dipropyl-9h-purin-7-ium-4-id-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid
Molecular Mass 417.522 g·mol−1
Heat of Formation -769.3 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 508.01 Å 3
Surface Area 421.64 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey ZWTVVWUOTJRXKM-HZCBDIJESA-N
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