Geometry & MOs

Info

ID:	379823
PubChem CID:	134464990
Reduced:	F3C26H31 (1)
Stoich.:	A3B26C31 (1)
Weight, g/mol:	400.237785
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	3.97
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=C(C2=C3C(=C2C=C1)C=C(C(=C3F)F)C4CCC(CC4)CCC)F

DOS

IR

Vibrations