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

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Formula C18H24N5O3
IUPAC Name 7-[2-[[(1r,2r)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]ethyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 358.415 g·mol−1
Heat of Formation -291.1 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 425.32 Å 3
Surface Area 359.41 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey ZLCVJFMTBSOXRN-SMOPSLFNSA-P
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