6-Hydroxy-9-(4-Aminobenzyl)Purine

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Properties Simple | Detailed

Formula C12H12N5O
IUPAC Name 9-[(4-aminophenyl)methyl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 242.257 g·mol−1
Heat of Formation 217.6 ± 16.7 kJ·mol−1
Dipole Moment 13.86 ± 1.08 D
Volume 276.84 Å 3
Surface Area 251.99 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey CDUYPHFBSOIXIZ-UHFFFAOYSA-P
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