Geometry & MOs

Info

ID:	379848
PubChem CID:	134465051
Reduced:	OF3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	400.237785
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	3.33
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=C(C3=C4C(=C3C=C2)C=C(C(=C4F)F)CO)F

DOS

IR

Vibrations