1-[3-(3,7-Dimethyl-2,6-Dioxo-Purin-9-Ium-5-Id-1-Yl)Propyl]-3,7-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C17H22N8O4
IUPAC Name 1-[3-(3,7-dimethyl-2,6-dioxo-purin-9-ium-5-id-1-yl)propyl]-3,7-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 402.408 g·mol−1
Heat of Formation -388.1 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 445.2 Å 3
Surface Area 390.93 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry Cs
InChIKey WMOPPJYKNGTONB-UHFFFAOYSA-R
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