Geometry & MOs

Info

ID:	376392
PubChem CID:	134222404
Reduced:	O2F9H19C29 (1)
Stoich.:	A2B9C19D29 (1)
Weight, g/mol:	542.169192
ΔH_f, kcal/mol:	-438.91
Dipole, Da:	9.88
IP(EA), eV:	-9.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-propyloxane

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)F)F

DOS

IR

Vibrations