Geometry & MOs

Info

ID:	376302
PubChem CID:	134222312
Reduced:	OF3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	442.191978
ΔH_f, kcal/mol:	-181.88
Dipole, Da:	3.61
IP(EA), eV:	-9.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-(4-ethylcyclohexyl)phenyl]-2-fluorophenyl]-1,3-difluoro-2-(fluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations