3-Methyl-1-[(3-Oxo-1,3-Dihydro-2-Benzofuran-1-Yl)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C15H13N4O4
IUPAC Name 3-methyl-1-[[(1r)-3-oxo-1h-isobenzofuran-1-yl]methyl]-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 313.288 g·mol−1
Heat of Formation -367.5 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 338.43 Å 3
Surface Area 270.94 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
InChIKey NBUVZULTUZOIPW-JTQLQIEISA-N
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