1-{[(2R,3Z,12Bs)-3-Ethylidene-1,2,3,4,6,7,12,12B-Octahydroindolo[2,3-A]Quinolizin-2-Yl]Methyl}-9H-β-Carbolin-6-Ol
Properties
| Property | Value |
|---|---|
| Formula | C29H28N4O |
| IUPAC Name | 1-[[(2r,3z,5r,12bs)-3-ethylidene-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12-ium-2-yl]methyl]-7,8-dihydro-4h-pyrido[3,4-b]indole-2,9-diium-4,7,8-triid-6-olate |
| Molecular Mass | 448.559 g·mol−1 |
| Heat of Formation | 290.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.20 ± 1.08 D |
| Volume | 542.1 Å 3 |
| Surface Area | 460.72 Å 2 |
| HOMO Energy | -8.11 ± 0.55 eV |
| LUMO Energy | -0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UXVNNVWPICKMTE-WRLCUUPGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |