[10-(4-Methoxybenzoyl)-5-Methyl-10,11-Dihydro-5H-Pyrrolo[1,2-B][1,2,5]Benzotriazepin-11-Yl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H21N3O4 |
| IUPAC Name | 2-[5-(4-methoxybenzoyl)-10-methyl-4h-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid |
| Molecular Mass | 391.420 g·mol−1 |
| Heat of Formation | -249.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.19 ± 1.08 D |
| Volume | 456.78 Å 3 |
| Surface Area | 364.5 Å 2 |
| HOMO Energy | -8.88 ± 0.55 eV |
| LUMO Energy | -0.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VEGYGKDKQZDMTG-HXUWFJFHSA-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 |