Geometry & MOs

Info

ID:	376290
PubChem CID:	134222300
Reduced:	F3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	432.136
ΔH_f, kcal/mol:	-269.36
Dipole, Da:	2.13
IP(EA), eV:	-9.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(OC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations