(7R)-5-Chloro-3-[(1E,3E)-3,5-Dimethyl-1,3-Heptadien-1-Yl]-8-Methoxy-7-Methyl-6-Oxo-6,7-Dihydro-7-Isoquinolinyl Acetate

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Properties Simple | Detailed

Formula C22H26ClNO4
IUPAC Name [(7r)-5-chloro-3-[(1e,3e,5r)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-7-methyl-6-oxo-7-isoquinolyl] acetate
Molecular Mass 403.899 g·mol−1
Heat of Formation -479.8 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 486.11 Å 3
Surface Area 421.35 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
InChIKey XEYGOCHZSYIFRN-TVTPIZBSSA-N
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Elements H C N O Cl