N~2~-(Trans-4-Aminocyclohexyl)-N~6~-Benzyl-9-Cyclopentyl-9H-Purine-2,6-Diamine

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Properties Simple | Detailed

Formula C23H31N7
IUPAC Name n2-(4-aminocyclohexyl)-n6-benzyl-9-cyclopentyl-purin-9-ium-2,6-diamine
Molecular Mass 405.539 g·mol−1
Heat of Formation 250.7 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 510.62 Å 3
Surface Area 444.75 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey JTVILUUAQWQWBK-IYARVYRRSA-N
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Elements H C N