4-[(2R,6S)-3,5-Dioxo-4-Azatricyclo[5.2.1.0~2,6~]Dec-8-En-4-Yl]-N-(4-Methyl-8-Quinolinyl)Benzamide
Properties
Property | Value |
---|---|
Formula | C26H21N3O3 |
IUPAC Name | 4-[(1r,2s,6r,7s)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-n-(4-methyl-8-quinolyl)benzamide |
Molecular Mass | 423.463 g·mol−1 |
Heat of Formation | -79.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.30 ± 1.08 D |
Volume | 479.56 Å 3 |
Surface Area | 415.52 Å 2 |
HOMO Energy | -8.43 ± 0.55 eV |
LUMO Energy | 2.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | BLPUCTSDPCUHQQ-NEAWWFDSSA-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 |