3-Isobutyl-1-Methyl-9H-Purin-7-Ium-4-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C10H15N4O2
IUPAC Name 3-isobutyl-1-methyl-9h-purin-7-ium-4-ide-2,6-dione
Molecular Mass 223.252 g·mol−1
Heat of Formation -239.1 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 264.05 Å 3
Surface Area 236.99 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey SWDQEVSPBXOKBI-UHFFFAOYSA-P
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