Geometry & MOs

Info

ID:	379856
PubChem CID:	134465078
Reduced:	OF3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	374.18575
ΔH_f, kcal/mol:	-134.57
Dipole, Da:	3.41
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pentyl-2-(1,7,8-trifluoro-6-methylbiphenylen-2-yl)oxane

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C3C=CC(=C(C3=C2C(=C1F)F)F)C4CCC(CO4)CCC

DOS

IR

Vibrations