Geometry & MOs

Info

ID:	379851
PubChem CID:	134465059
Reduced:	F3C26H31 (1)
Stoich.:	A3B26C31 (1)
Weight, g/mol:	468.22517
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	4.29
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-pentyl-7-[4-(4,4,4-trifluorobutyl)cyclohexyl]biphenylene

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C3C=CC(=C(C3=C2C(=C1F)F)F)C4CCC(CC4)CCC

DOS

IR

Vibrations