1,3-Dimethyl-7-(5-Oxohexyl)Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C13H19N4O3
IUPAC Name 1,3-dimethyl-7-(5-oxohexyl)purin-9-ium-5-ide-2,6-dione
Molecular Mass 279.315 g·mol−1
Heat of Formation -441.6 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 333.9 Å 3
Surface Area 308.02 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey HOKQIUZIEDQROI-UHFFFAOYSA-P
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