1-Butyl-3-(3-Hydroxypropyl)-8-[(1R,3R,5S,7R)-Tricyclo[3.3.1.0~3,7~]Non-3-Yl]-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C21H30N4O3
IUPAC Name 1-butyl-3-(3-hydroxypropyl)-8-[(1s,5r)-3-tricyclo[3.3.1.03,7]nonanyl]-7h-purine-2,6-dione
Molecular Mass 386.488 g·mol−1
Heat of Formation 2853.4 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 350.16 Å 3
Surface Area 304.99 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -2.52 ± eV
Point Group Symmetry C1
InChIKey CIBIXJYFYPFMTN-FZUGUKJMSA-N
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