Geometry & MOs

Info

ID:	83706
PubChem CID:	49860414
Reduced:	ClON5C26H44 (1)
Stoich.:	ABC5D26E44 (1)
Weight, g/mol:	466.271069
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	3.95
IP(EA), eV:	-7.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl]propane-1,2-diol;hydrochloride

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCN3CCN(CC3)CCCN(C)C)OC.Cl

DOS

IR

Vibrations