1-Hexyl-3,7-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C13H21N4O2
IUPAC Name 1-hexyl-3,7-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 265.331 g·mol−1
Heat of Formation -307.5 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 328.71 Å 3
Surface Area 305.42 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey ZNZWHZYTMORTBY-UHFFFAOYSA-P
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