9-Cyclopentyl-N8-(2-Fluorophenyl)-N2-(4-Methoxyphenyl)Purine-1,3,7-Triium-2,8-Diamine

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Formula C23H25FN6O
IUPAC Name 9-cyclopentyl-n8-(2-fluorophenyl)-n2-(4-methoxyphenyl)purine-1,3,7-triium-2,8-diamine
Molecular Mass 420.483 g·mol−1
Heat of Formation 137.9 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 481.18 Å 3
Surface Area 422.81 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey WZJCJESSMIKBSI-UHFFFAOYSA-O
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