Geometry & MOs

Info

ID:	85887
PubChem CID:	49879917
Reduced:	ClON2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	313.111253
ΔH_f, kcal/mol:	68.72
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.908454
Charge, e:	-2

Chem-info

IUPAC name:

N',N'-dimethyl-N-(2-methylquinolin-4-yl)propane-1,3-diamine;dichloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC3=CC=CC=C3C2=N1)NC4=CC=CC=C4OC.[Cl-]

DOS

IR

Vibrations