Geometry & MOs

Info

ID:	29505
PubChem CID:	834518
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	262.15037
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	2.59
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(4-methylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations