Geometry & MOs

Info

ID:	376329
PubChem CID:	134222340
Reduced:	O4F7H21C22 (1)
Stoich.:	A4B7C21D22 (1)
Weight, g/mol:	436.203686
ΔH_f, kcal/mol:	-479.1
Dipole, Da:	5.65
IP(EA), eV:	-9.69(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-5-(4-propylcyclohexyl)oxane

Drug info:

PubChemData

Smile

CCCCC1COC(OC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F

DOS

IR

Vibrations