3-{(E)-[(5Z)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-1,4-Dimethyl-4,5,6,7-Tetrahydro-2H-Isoindole
Properties
| Property | Value |
|---|---|
| Formula | C20H23N3O |
| IUPAC Name | (4r)-3-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydroisoindol-2-ium-3-ylium |
| Molecular Mass | 321.416 g·mol−1 |
| Heat of Formation | 233.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.78 ± 1.08 D |
| Volume | 404.78 Å 3 |
| Surface Area | 358.48 Å 2 |
| HOMO Energy | -7.83 ± 0.55 eV |
| LUMO Energy | -1.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OCCNYGGVVVZDTB-XZSJBVATSA-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 |