8-Bromo-1,3,7-Trimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C8H10BrN4O2
IUPAC Name 8-bromo-1,3,7-trimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 274.095 g·mol−1
Heat of Formation -169.6 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 246.54 Å 3
Surface Area 230.79 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry Cs
InChIKey TUAOKONXDIAEKS-UHFFFAOYSA-P
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Elements H C O Br N