Geometry & MOs

Info

ID:	55287
PubChem CID:	17390008
Reduced:	ClNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	238.980777
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	5.62
IP(EA), eV:	-9.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=CC=CC=C2.Cl

DOS

IR

Vibrations