2-Chloro-3,7-Dihydropurine-1,9-Diium-5-Id-6-One

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Formula C5H4ClN4O
IUPAC Name 2-chloro-3,7-dihydropurine-1,9-diium-5-id-6-one
Molecular Mass 171.564 g·mol−1
Heat of Formation 91.1 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 166.44 Å 3
Surface Area 169.5 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry Cs
InChIKey ALBQPTQHEBDWLQ-UHFFFAOYSA-O
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Elements H C N O Cl