Geometry & MOs

Info

ID:	379822
PubChem CID:	134464987
Reduced:	F5H11C17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	400.237785
ΔH_f, kcal/mol:	-140.12
Dipole, Da:	4.88
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-7-pentyl-3-(4-propylcyclohexyl)biphenylene

Drug info:

PubChemData

Smile

CC1=CC2=C3C=CC(=C(C3=C2C(=C1F)F)F)CCC=C(F)F

DOS

IR

Vibrations