7-({3-Fluoro-5-[(1S,3S,5R)-3-Hydroxy-6,8-Dioxabicyclo[3.2.1]Oct-3-Yl]Phenoxy}Methyl)-4-(3-Furyl)-2-Quinolinecarbonitrile

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Properties Simple | Detailed

Formula C27H22FN2O5
IUPAC Name 4-(2,3-dihydrofuran-1-ium-2-ylium-3-id-4-yl)-7-[[3-fluoro-5-[(1s,3s,5r)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]phenoxy]methyl]quinolin-1-ium-4a-ide-2-carbonitrile
Molecular Mass 473.472 g·mol−1
Heat of Formation -465.5 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 523.2 Å 3
Surface Area 457.12 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey GZOVJNIKHQXVIU-FDJWOJMMSA-N
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