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

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Properties Simple | Detailed

Formula C9H12N4O3
IUPAC Name 7-(2-hydroxyethyl)-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 224.217 g·mol−1
Heat of Formation -390.1 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 251.0 Å 3
Surface Area 231.98 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey DLTASOYLSQGSNJ-UHFFFAOYSA-P
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