Geometry & MOs

Info

ID:	376390
PubChem CID:	134222402
Reduced:	O2F8H20C29 (1)
Stoich.:	A2B8C20D29 (1)
Weight, g/mol:	526.174277
ΔH_f, kcal/mol:	-390.17
Dipole, Da:	9.55
IP(EA), eV:	-9.46(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[difluoro-[2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]phenyl]methoxy]phenyl]-1,3-difluoro-2-(fluoromethoxy)benzene

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

DOS

IR

Vibrations