Geometry & MOs

Info

ID:	206951
PubChem CID:	80324729
Reduced:	ClSN2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	242.064447
ΔH_f, kcal/mol:	-13.27
Dipole, Da:	1.07
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CN2C3CCC2CC(C3)Cl

DOS

IR

Vibrations