Geometry & MOs

Info

ID:	186986
PubChem CID:	77511935
Reduced:	F3N3O4H20C21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-225.08
Dipole, Da:	2.35
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(1-benzofuran-5-yl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)OC3=NN=C(C=C3)C4=CC5=C(C=C4)OC=C5.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations