Geometry & MOs

Info

ID:	160562
PubChem CID:	57389047
Reduced:	ClSO2N3C21H32 (1)
Stoich.:	ABC2D3E21F32 (1)
Weight, g/mol:	439.206026
ΔH_f, kcal/mol:	-72.63
Dipole, Da:	1.01
IP(EA), eV:	-8.17(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=NC=CS3.Cl

DOS

IR

Vibrations