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

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Properties Simple | Detailed

Formula C18H24N5O2
IUPAC Name 8-benzyl-7-[2-(ethylamino)ethyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 342.416 g·mol−1
Heat of Formation -164.5 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 416.6 Å 3
Surface Area 348.53 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey MQPUUTCDWADAGM-UHFFFAOYSA-P
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