Geometry & MOs

Info

ID:	379825
PubChem CID:	134464996
Reduced:	OF3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	466.20952
ΔH_f, kcal/mol:	-129.21
Dipole, Da:	4.06
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations