(4R,4A'R,10A'S)-8'-(2-Fluoro-3-Pyridinyl)-4A'-Methyl-3',4',4A',10A'-Tetrahydro-2'H-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]Chromen]-2-Amine

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Properties Simple | Detailed

Formula C20H20FN3O3
IUPAC Name (4ar,10r,10as)-8-(2-fluoro-3-pyridyl)-4a-methyl-spiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5h-oxazole]-2'-amine
Molecular Mass 369.390 g·mol−1
Heat of Formation -398.9 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 413.24 Å 3
Surface Area 350.67 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey DMNHLGOPJBTFQJ-RLLQIKCJSA-N
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