1,3-Dimethyl-7-[2-(3H-Pyridin-1-Ium-3-Id-5-Ylmethylamino)Ethyl]Purin-9-Ium-5-Ide-2,6-Dione

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Formula C15H20N6O2
IUPAC Name 1,3-dimethyl-7-[2-(3h-pyridin-1-ium-3-id-5-ylmethylamino)ethyl]purin-9-ium-5-ide-2,6-dione
Molecular Mass 316.358 g·mol−1
Heat of Formation -43.0 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 368.46 Å 3
Surface Area 336.5 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey FDSUJOYXKBERDM-UHFFFAOYSA-P
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