Geometry & MOs

Info

ID:	376384
PubChem CID:	134222396
Reduced:	O2F7H21C29 (1)
Stoich.:	A2B7C21D29 (1)
Weight, g/mol:	512.234986
ΔH_f, kcal/mol:	-345.56
Dipole, Da:	8.11
IP(EA), eV:	-9.17(-1.22)
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]cyclohexyl]-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)OCF)F)(F)F)F)F

DOS

IR

Vibrations