Geometry & MOs

Info

ID:	376336
PubChem CID:	134222347
Reduced:	O3F5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	438.18295
ΔH_f, kcal/mol:	-399.38
Dipole, Da:	3.44
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations