Geometry & MOs

Info

ID:	373457
PubChem CID:	131315628
Reduced:	BrClIO2H5C8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	223.041548
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	2.41
IP(EA), eV:	-9.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,5-dimethylpyrazol-3-yl)-1,2-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)CCl)Br)O)I

DOS

IR

Vibrations