3-[3-(Cyclopentoxy)-4-Methoxy-Phenyl]-N-Ethyl-8-Isopropyl-Purine-1,7,9-Triium-6-Amine
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | H C O N |