Geometry & MOs

Info

ID:	341394
PubChem CID:	127264087
Reduced:	Cl2N2O2C13H20 (1)
Stoich.:	A2B2C2D13E20 (1)
Weight, g/mol:	319.067674
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	2.12
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-piperazin-1-ylethyl)-1,3-benzothiazole;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCO2)N3CCNCC3.Cl.Cl

DOS

IR

Vibrations