(3E)-3-{[(2-Methoxyethyl)Amino]Methylene}-1-Methyl-5-Phenyl-7-(Trifluoromethyl)-1H-1,5-Benzodiazepine-2,4(3H,5H)-Dione
Properties
| Property | Value |
|---|---|
| Formula | C21H20F3N3O3 |
| IUPAC Name | (3z)-3-[(2-methoxyethylamino)methylene]-1-methyl-5-phenyl-7-(trifluoromethyl)-1,5-benzodiazepine-1,5-diium-2,4-dione |
| Molecular Mass | 419.397 g·mol−1 |
| Heat of Formation | -906.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.38 ± 1.08 D |
| Volume | 463.14 Å 3 |
| Surface Area | 388.59 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 2.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZVVPSWCRCLQQOH-SSZFMOIBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |