Geometry & MOs

Info

ID:	297043
PubChem CID:	117606771
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	504.319229
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	3.15
IP(EA), eV:	-9.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethylphenyl)phenyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene

Drug info:

PubChemData

Smile

CC1(OC[C@H](C(O1)C2=CC=CC=C2O)CC=O)C

DOS

IR

Vibrations