Geometry & MOs

Info

ID:	297429
PubChem CID:	117617263
Reduced:	O3F8C37H46 (1)
Stoich.:	A3B8C37D46 (1)
Weight, g/mol:	518.30078
ΔH_f, kcal/mol:	-518.01
Dipole, Da:	6.27
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-[3-(4-butoxy-2-fluorophenoxy)-2-fluoropropyl]-2-fluorophenyl]cyclohexyl]-2-methyloxane

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=C(C=C1)OCC(CC2=C(C(=C(C=C2)OCCC(C3CCC(CC3)/C=C/C4CCC(CC4)C)(F)F)F)F)(F)F)F)F

DOS

IR

Vibrations