9-Cyclopentyl-N8-(2-Fluorophenyl)-N2-(4-Methoxyphenyl)Purine-1,3,7-Triium-2,8-Diamine
Properties
Property | Value |
---|---|
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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Elements | H C N O F |