Geometry & MOs

Info

ID:	376376
PubChem CID:	134222388
Reduced:	O2F9H19C29 (1)
Stoich.:	A2B9C19D29 (1)
Weight, g/mol:	524.178614
ΔH_f, kcal/mol:	-438.21
Dipole, Da:	9.98
IP(EA), eV:	-9.55(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[difluoro-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-3-fluorophenyl]-5-propyloxane

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F)(F)F)F)F

DOS

IR

Vibrations