Geometry & MOs

Info

ID:	379843
PubChem CID:	134465041
Reduced:	O2F3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	422.222135
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	7.15
IP(EA), eV:	-8.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-[2-(4-pentylphenyl)ethyl]-7-propylbiphenylene

Drug info:

PubChemData

Smile

CCOC1=C(C2=C3C(=C2C=C1)C=C(C(=C3F)F)OCC4CCCC4)F

DOS

IR

Vibrations