Geometry & MOs

Info

ID:	30196
PubChem CID:	840636
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	208.07961
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	5.77
IP(EA), eV:	-8.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol

Drug info:

PubChemData

Smile

CC(=O)NN=CC1=CC(=C(C=C1OC)OC)OC

DOS

IR

Vibrations