3-[3-(Cyclopentyloxy)-4-Methoxyphenyl]-N-Ethyl-8-Isopropyl-3H-Purin-6-Amine

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Properties Simple | Detailed

Formula C22H30N5O2+
IUPAC Name 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-n-ethyl-8-isopropyl-purin-3-ium-4-ylium-6-amine
Molecular Mass 396.506 g·mol−1
Heat of Formation -33.0 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 492.18 Å 3
Surface Area 428.01 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey AYGRFQUSTHLHDJ-UHFFFAOYSA-N
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