2-{4-[(4-Methyl-1-Piperazinyl)Carbonyl]Phenyl}-4H-Chromen-4-One
Properties
| Property | Value |
|---|---|
| Formula | C21H21N2O3+ |
| IUPAC Name | 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]chromen-4-one |
| Molecular Mass | 349.403 g·mol−1 |
| Heat of Formation | -187.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.72 ± 1.08 D |
| Volume | 414.55 Å 3 |
| Surface Area | 363.75 Å 2 |
| HOMO Energy | -9.14 ± 0.55 eV |
| LUMO Energy | 1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GCCLEHACQGEQIL-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |