Geometry & MOs

Info

ID:	376377
PubChem CID:	134222389
Reduced:	O3F6H26C28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	434.242122
ΔH_f, kcal/mol:	-376.13
Dipole, Da:	6.6
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-[4-(fluoromethoxy)phenyl]benzene

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2=CC(=C(C=C2)C(OC3=CC(=C(C=C3)C4=CC(=C(C=C4)OCF)F)F)(F)F)F

DOS

IR

Vibrations