Geometry & MOs

Info

ID:	233987
PubChem CID:	92297477
Reduced:	NOSC6H8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	10.36
IP(EA), eV:	-8.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CCN\1CCO/C1=C/C=C/2\C(=O)N(C(=S)S2)CC

DOS

IR

Vibrations