Geometry & MOs

Info

ID:	376306
PubChem CID:	134222316
Reduced:	OF3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	496.148456
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	4.4
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)F)OCF)F

DOS

IR

Vibrations