Geometry & MOs

Info

ID:	379855
PubChem CID:	134465065
Reduced:	F3C25H27 (1)
Stoich.:	A3B25C27 (1)
Weight, g/mol:	402.21705
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	3.96
IP(EA), eV:	-8.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-2-(1,7,8-trifluoro-6-pentylbiphenylen-2-yl)oxane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations