Geometry & MOs

Info

ID:	167385
PubChem CID:	74818984
Reduced:	F3N3O4H20C26 (1)
Stoich.:	A3B3C4D20E26 (1)
Weight, g/mol:	488.13592
ΔH_f, kcal/mol:	-166.95
Dipole, Da:	9.11
IP(EA), eV:	-9.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-7-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1CC2C(CC1OCC3=NOC(=N3)C4=CC(=CC=C4)C(F)(F)F)OC=C(C2=O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations