Geometry & MOs

Info

ID:	374275
PubChem CID:	131326077
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	226.057612
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	3.37
IP(EA), eV:	-9.17(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(4-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)C(=C(C=C1[N+](=O)[O-])N)O

DOS

IR

Vibrations