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

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Properties Simple | Detailed

Formula C21H32FNO3
IUPAC Name (2r,3r,5s,11br)-9-(3-fluoropropoxy)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-ol
Molecular Mass 365.482 g·mol−1
Heat of Formation -731.5 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 459.47 Å 3
Surface Area 397.92 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,11br)-9-(3-fluoropropoxy)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-ol
  • (2r,3r,11br)-9-(3-fluoropropoxy)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-ol
InChIKey GNKGXQHHUUEYQV-BHIYHBOVSA-N
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