Geometry & MOs

Info

ID:	127701
PubChem CID:	51012157
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	382.121483
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	2.4
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-1-[(1S,5S,6R)-6-pyrrolidin-1-yl-9-oxa-2-azabicyclo[3.3.1]nonan-2-yl]ethanone

Drug info:

PubChemData

Smile

CO[C@]1([C@H]2C=CC(=O)[C@@]1([C@H]3[C@@H]2CC=C3)O)CSC

DOS

IR

Vibrations