Geometry & MOs

Info

ID:	335429
PubChem CID:	127254291
Reduced:	BrClOC5N5H13 (1)
Stoich.:	ABCD5E5F13 (1)
Weight, g/mol:	279.044379
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	8.58
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)Br)NCCN.O.Cl

DOS

IR

Vibrations