3-[3-(Cyclopentoxy)-4-Methoxy-Phenyl]-N-Ethyl-8-Isopropyl-Purine-1,7,9-Triium-6-Amine

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Properties Simple | Detailed

Formula C22H31N5O2
IUPAC Name 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-n-ethyl-8-isopropyl-purine-1,7,9-triium-6-amine
Molecular Mass 397.514 g·mol−1
Heat of Formation -40.9 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 490.83 Å 3
Surface Area 425.89 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
InChIKey ZXLLASMBXZLGSK-UHFFFAOYSA-O
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