(2R,3R,11Br)-9-[3-(~18~F)Fluoropropoxy]-3-Isobutyl-10-Methoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Ol

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Formula C21H32FNO3
IUPAC Name (2r,3r,5s,11br)-9-(3-(18f)fluoranylpropoxy)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-ol
Molecular Mass 364.485 g·mol−1
Heat of Formation -728.6 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 462.21 Å 3
Surface Area 405.85 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
InChIKey GNKGXQHHUUEYQV-WTHAECTESA-N
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Elements H C N O F