Geometry & MOs

Info

ID:	379832
PubChem CID:	134465015
Reduced:	OF3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	378.159535
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	4.18
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-enylphenyl)-1,2,8-trifluoro-7-propylbiphenylene

Drug info:

PubChemData

Smile

CCCCCC1CCC(=CC1)C2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)OCC

DOS

IR

Vibrations