Geometry & MOs

Info

ID:	379845
PubChem CID:	134465047
Reduced:	FH6C7 (4)
Stoich.:	AB6C7 (4)
Weight, g/mol:	426.253436
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	5.1
IP(EA), eV:	-8.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-[(E)-2-(4-pentylcyclohexyl)ethenyl]-7-propylbiphenylene

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C=C1)C#CC2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)CCC)F

DOS

IR

Vibrations