Tcmdc-124142
Properties
Property | Value |
---|---|
Formula | C21H24BrNO3 |
IUPAC Name | ethyl (4r)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate |
Molecular Mass | 418.324 g·mol−1 |
Heat of Formation | -475.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.16 ± 1.08 D |
Volume | 456.85 Å 3 |
Surface Area | 368.13 Å 2 |
HOMO Energy | -8.66 ± 0.55 eV |
LUMO Energy | 2.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | WOXHNBDGNUVWNG-SFHVURJKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |