N-(7-Chloro-4-Quinolinyl)-N'-[(4Ar,8As)-6-Isopropyl-8A-Methyl-4A,7,8,8A-Tetrahydrospiro[1,2,4-Benzotrioxine-3,1'-Cyclohexan]-4'-Yl]-1,2-Ethanediamine
Properties
Property | Value |
---|---|
Formula | C27H36ClN3O3 |
IUPAC Name | n-[(4ar,8as)-6-isopropyl-8a-methyl-spiro[7,8-dihydro-4ah-1,2,4-benzotrioxine-3,4'-cyclohexane]-1'-yl]-n'-(7-chloroquinolin-1-ium-4a-id-4-yl)ethane-1,2-diamine |
Molecular Mass | 486.046 g·mol−1 |
Heat of Formation | -242.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.01 ± 1.08 D |
Volume | 600.11 Å 3 |
Surface Area | 428.53 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | -1.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | WBYWBGNDHPSABG-YICISRLPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |