Geometry & MOs

Info

ID:	379828
PubChem CID:	134465006
Reduced:	O2F3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	396.206485
ΔH_f, kcal/mol:	-145.33
Dipole, Da:	4.54
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-(4-pentylcyclohexyl)-7-prop-1-ynylbiphenylene

Drug info:

PubChemData

Smile

CCC(=O)C1CCC(CC1)C2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)OCC

DOS

IR

Vibrations