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

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Properties Simple | Detailed

Formula C8H11N4O3
IUPAC Name 1-(hydroxymethyl)-3,7-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 211.198 g·mol−1
Heat of Formation -386.3 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 227.58 Å 3
Surface Area 216.4 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey TWXQFFURGLQDSV-UHFFFAOYSA-P
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