3-Isobutyl-8-Pyrrolidin-1-Yl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C13H20N5O2
IUPAC Name 3-isobutyl-8-pyrrolidin-1-yl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 278.330 g·mol−1
Heat of Formation -267.9 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 330.55 Å 3
Surface Area 288.56 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey MPRPIPQHJCFNHW-UHFFFAOYSA-P
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