(±)-1,8-Dimethyl-3-(2-Methybutyl)Xanthine

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Formula C12H22N4O2
IUPAC Name 1,8-dimethyl-3-[(2s)-2-methylbutyl]-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 254.329 g·mol−1
Heat of Formation -324.2 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 305.5 Å 3
Surface Area 275.2 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey MTBUJUHRXVGLEF-ZETCQYMHSA-N
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