1,8-Dimethyl-3-[(2S)-2-Methylbutyl]-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C12H19N4O2
IUPAC Name 1,8-dimethyl-3-[(2s)-2-methylbutyl]-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 251.305 g·mol−1
Heat of Formation -325.0 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 306.16 Å 3
Surface Area 274.02 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey XGCLAVLYTXZVQG-KJTVYLTBSA-P
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