(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |