Geometry & MOs

Info

ID:	160561
PubChem CID:	57389044
Reduced:	ClSO2N3C20H30 (1)
Stoich.:	ABC2D3E20F30 (1)
Weight, g/mol:	425.190376
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	3.08
IP(EA), eV:	-8.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-(4-ethoxyphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=NC=CS3.Cl

DOS

IR

Vibrations