3-Butyl-1-Methyl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C10H15N4O2
IUPAC Name 3-butyl-1-methyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 223.252 g·mol−1
Heat of Formation -257.5 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 261.96 Å 3
Surface Area 247.52 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey XZWZGAWYLOXQQD-UHFFFAOYSA-P
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