Geometry & MOs

Info

ID:	217178
PubChem CID:	85087379
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	339.142363
ΔH_f, kcal/mol:	39.84
Dipole, Da:	5.27
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-chlorophenyl)sulfanylpropoxymethyl]-8-methyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(CC1=CN=CN1)NC(=C2C=CC(=CC2=O)Cl)C3=CC=CC=C3

DOS

IR

Vibrations