7-[2-(Diethylamino)Ethyl]-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C13H22N5O2
IUPAC Name 7-[2-(diethylamino)ethyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 280.346 g·mol−1
Heat of Formation -241.7 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 345.99 Å 3
Surface Area 305.62 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey UAICYDQJQJMIFI-UHFFFAOYSA-P
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