Geometry & MOs

Info

ID:	206950
PubChem CID:	80324728
Reduced:	ClSN2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	298.127048
ΔH_f, kcal/mol:	10.15
Dipole, Da:	1.72
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2CCC(C2)Cl

DOS

IR

Vibrations