Geometry & MOs

Info

ID:	186985
PubChem CID:	77511839
Reduced:	FPN7O7C25H33 (1)
Stoich.:	ABC7D7E25F33 (1)
Weight, g/mol:	435.140591
ΔH_f, kcal/mol:	-333.11
Dipole, Da:	5.3
IP(EA), eV:	-9.01(-0.8)
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;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(COP(=O)(O)O)NCCOC1=CC(=CC2=C1C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC(=CC=C4)F)OC

DOS

IR

Vibrations