4-[3-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Propanoylamino]Benzoic Acid

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Properties Simple | Detailed

Formula C15H14N5O4
IUPAC Name 4-[3-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)propanoylamino]benzoic acid
Molecular Mass 328.303 g·mol−1
Heat of Formation -354.8 ± 16.7 kJ·mol−1
Dipole Moment 10.46 ± 1.08 D
Volume 366.75 Å 3
Surface Area 300.28 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey JHSIRKQPUKDNBG-UHFFFAOYSA-P
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