1-Butyl-3-Propyl-3,4,5,7-Tetrahydro-1H-Purine-2,6-Dione

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Formula C12H20N4O2
IUPAC Name (4r,5r)-1-butyl-3-propyl-5,7-dihydro-4h-purine-2,6-dione
Molecular Mass 252.313 g·mol−1
Heat of Formation -334.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 314.68 Å 3
Surface Area 287.77 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey AGPCTXLRRJTGBX-NXEZZACHSA-N
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