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

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Properties Simple | Detailed

Formula C27H37ClN3O3
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 487.054 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
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Elements H C N O Cl