Ethyl N-[2-(2-Pyridinyl)-6-(1,2,4,5-Tetrahydro-3H-3-Benzazepin-3-Yl)-4-Pyrimidinyl]-β-Alaninate
Properties
| Property | Value |
|---|---|
| Formula | C24H27N5O2 |
| IUPAC Name | ethyl 3-[[2-(2-pyridyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate |
| Molecular Mass | 417.503 g·mol−1 |
| Heat of Formation | -33.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.30 ± 1.08 D |
| Volume | 503.11 Å 3 |
| Surface Area | 450.38 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WBKCKEHGXNWYMO-UHFFFAOYSA-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 |