[2-(Hydroxymethyl)-3,4-Dimethoxyphenyl](4-Methoxy-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl)Methanol

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Properties Simple | Detailed

Formula C22H27NO7
IUPAC Name (s)-[2-(hydroxymethyl)-3,4-dimethoxy-phenyl]-[(5r,6s)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol
Molecular Mass 417.452 g·mol−1
Heat of Formation -915.5 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 477.4 Å 3
Surface Area 395.24 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
InChIKey BHLLOBXLOWXZDQ-MOPGFXCFSA-N
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