Geometry & MOs

Info

ID:	5313
PubChem CID:	12947
Reduced:	ClSN3O5C18H28 (1)
Stoich.:	ABC3D5E18F28 (1)
Weight, g/mol:	433.14382
ΔH_f, kcal/mol:	-204.4
Dipole, Da:	6.18
IP(EA), eV:	-8.57(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;sulfuric acid

Drug info:

PubChemData

Smile

CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O

DOS

IR

Vibrations