Geometry & MOs

Info

ID:	233348
PubChem CID:	89850284
Reduced:	NO4F7C21H26 (1)
Stoich.:	AB4C7D21E26 (1)
Weight, g/mol:	474.164106
ΔH_f, kcal/mol:	-544.94
Dipole, Da:	7.81
IP(EA), eV:	-10.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-(4-propylcyclohexyl)methoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C(OC2=CN=C(C=C2)C(OC3COC(OC3)C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations