Geometry & MOs

Info

ID:	376358
PubChem CID:	134222369
Reduced:	O2F8H20C29 (1)
Stoich.:	A2B8C20D29 (1)
Weight, g/mol:	512.234986
ΔH_f, kcal/mol:	-391.14
Dipole, Da:	9.12
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3-fluorophenyl]cyclohexyl]-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

DOS

IR

Vibrations