Geometry & MOs

Info

ID:	83704
PubChem CID:	49860361
Reduced:	ClS2O3N4C44H81 (1)
Stoich.:	AB2C3D4E44F81 (1)
Weight, g/mol:	379.23904
ΔH_f, kcal/mol:	-238.31
Dipole, Da:	4.51
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-2,4-dimethylquinolin-8-yl)-N'-propan-2-ylhexane-1,6-diamine;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNCC2=CC=CC=C2OC.O.Cl

DOS

IR

Vibrations