[3-Chloro-2-[5-Methyl-3-[4-(2-Pyrrolidin-1-Ylethoxy)Anilino]-1,2,4-Benzotriazin-7-Yl]Phenyl] Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C33H30ClN5O3 |
| IUPAC Name | [3-chloro-2-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate |
| Molecular Mass | 580.076 g·mol−1 |
| Heat of Formation | 61.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.45 ± 1.08 D |
| Volume | 683.34 Å 3 |
| Surface Area | 527.57 Å 2 |
| HOMO Energy | -8.37 ± 0.55 eV |
| LUMO Energy | 1.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CEDRABAQCMSIRW-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |