1,3-Dimethyl-7-[2-[[(1R)-1-Methyl-2-Phenyl-Ethyl]Amino]Ethyl]Purin-9-Ium-5-Ide-2,6-Dione

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Formula C18H24N5O2
IUPAC Name 1,3-dimethyl-7-[2-[[(1r)-1-methyl-2-phenyl-ethyl]amino]ethyl]purin-9-ium-5-ide-2,6-dione
Molecular Mass 342.416 g·mol−1
Heat of Formation -141.2 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 418.48 Å 3
Surface Area 370.65 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey RABDWINCPWQQME-IUDNXUCKSA-P
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