Geometry & MOs

Info

ID:	85885
PubChem CID:	49879912
Reduced:	ClN4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	313.111253
ΔH_f, kcal/mol:	106.3
Dipole, Da:	4.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-2

Chem-info

IUPAC name:

N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;dichloride

Drug info:

PubChemData

Smile

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations