2-Amino-8-Bromo-1,7-Dihydropurine-3,9-Diium-5-Id-6-One

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Formula C5H5BrN5O
IUPAC Name 2-amino-8-bromo-1,7-dihydropurine-3,9-diium-5-id-6-one
Molecular Mass 231.030 g·mol−1
Heat of Formation 105.7 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 187.43 Å 3
Surface Area 189.47 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey WLNNIAHCIVAGFM-UHFFFAOYSA-O
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Elements H C Br O N