(4Z)-6-Bromo-4-({[4-(1-Pyrrolidinylmethyl)Phenyl]Amino}Methylene)-1,3(2H,4H)-Isoquinolinedione
Properties
| Property | Value |
|---|---|
| Formula | C21H20BrN3O2 |
| IUPAC Name | (4z)-6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)anilino]methylene]isoquinoline-1,3-dione |
| Molecular Mass | 426.306 g·mol−1 |
| Heat of Formation | -121.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.16 ± 1.08 D |
| Volume | 444.08 Å 3 |
| Surface Area | 395.42 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | 1.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JFEKAVPMVOLVTH-UNOMPAQXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Br O N |