Geometry & MOs

Info

ID:	379844
PubChem CID:	134465046
Reduced:	F3C28H29 (1)
Stoich.:	A3B28C29 (1)
Weight, g/mol:	436.181413
ΔH_f, kcal/mol:	-71.61
Dipole, Da:	3.98
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)CCC2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)CCC

DOS

IR

Vibrations