1,3-Dimethyl-7-{2-[(1-Phenyl-2-Propanyl)Amino]Propyl}-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C19H25N5O2
IUPAC Name 1,3-dimethyl-7-[(2s)-2-[[(1s)-1-methyl-2-phenyl-ethyl]amino]propyl]purine-2,6-dione
Molecular Mass 355.434 g·mol−1
Heat of Formation -177.7 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 444.62 Å 3
Surface Area 363.85 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey CYWYUYISKCGNTK-KBPBESRZSA-N
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