Geometry & MOs

Info

ID:	376295
PubChem CID:	134222305
Reduced:	O2F5H17C22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	496.112071
ΔH_f, kcal/mol:	-269.9
Dipole, Da:	5.29
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations