7-Hydroxy-1-(4-{2-Hydroxy-5-[(7-Hydroxy-6-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-1-Isoquinoliniumyl)Methyl]Phenoxy}Benzyl)-6-Methoxy-2-Methyl-1,2,3,4-Tetrahydroisoquinolinium

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Properties Simple | Detailed

Formula C36H40N2O6
IUPAC Name (1s)-1-[[4-[2-hydroxy-5-[[(1s)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
Molecular Mass 596.713 g·mol−1
Heat of Formation -658.0 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 726.06 Å 3
Surface Area 529.86 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
InChIKey FDABVSXGAMFQQH-KYJUHHDHSA-N
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