Geometry & MOs

Info

ID:	166802
PubChem CID:	74735575
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	358.2243
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	6.51
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3-[[5-[5-(furan-2-yl)-2-methylpyrazol-3-yl]-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CO2)C3CN4CCC3CC4CNC(=S)NC5=CC=CC(=C5)C(=O)OC

DOS

IR

Vibrations