Geometry & MOs

Info

ID:	229625
PubChem CID:	87568228
Reduced:	NO3C18H33 (1)
Stoich.:	AB3C18D33 (1)
Weight, g/mol:	568.121054
ΔH_f, kcal/mol:	-180.12
Dipole, Da:	5.18
IP(EA), eV:	-9.75(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)CC(=O)N1CCCC1COC

DOS

IR

Vibrations