Geometry & MOs

Info

ID:	341395
PubChem CID:	127264088
Reduced:	SCl2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	247.114319
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	2.74
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)SC=N2)N3CCNCC3.Cl.Cl

DOS

IR

Vibrations