Geometry & MOs

Info

ID:	182982
PubChem CID:	76966339
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	614.283946
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	1.01
IP(EA), eV:	-8.38(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] acetate;[(3S)-1-azabicyclo[2.2.2]octan-3-yl] acetate;2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)NC[C@@H](COC1=CC=CC=C1SC)O

DOS

IR

Vibrations