1-[4-[1-(1,4-Dioxaspiro[4.5]Decan-8-Yl)-4-[(1R,5S)-8-Oxa-3-Azabicyclo[3.2.1]Octan-3-Yl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-6-Yl]Phenyl]-3-Methyl-Urea
Properties
| Property | Value |
|---|---|
| Formula | C27H35N7O4 |
| IUPAC Name | 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-[(1r,5s)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-yl]phenyl]-3-methyl-urea |
| Molecular Mass | 521.611 g·mol−1 |
| Heat of Formation | -323.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.09 ± 1.08 D |
| Volume | 604.01 Å 3 |
| Surface Area | 489.4 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | 2.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NTQKLVUULLNVCA-OYRHEFFESA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |