Geometry & MOs

Info

ID:	376291
PubChem CID:	134222301
Reduced:	O4F5C21H21 (1)
Stoich.:	A4B5C21D21 (1)
Weight, g/mol:	468.117156
ΔH_f, kcal/mol:	-383.51
Dipole, Da:	3.99
IP(EA), eV:	-9.69(-0.92)
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-propyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2=CC=C(C=C2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations