Geometry & MOs

Info

ID:	161248
PubChem CID:	57391156
Reduced:	ClN2O2C17H20 (2)
Stoich.:	AB2C2D17E20 (2)
Weight, g/mol:	480.115353
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	2.1
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoline-3-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCCNC(=O)N1[C@H]([C@H](N=C1C2=C(C=C(C=C2)OC)OC(C)C)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations