Geometry & MOs

Info

ID:	126987
PubChem CID:	50986650
Reduced:	ClSN2C20H33 (1)
Stoich.:	ABC2D20E33 (1)
Weight, g/mol:	1009.28999
ΔH_f, kcal/mol:	53.68
Dipole, Da:	42.35
IP(EA), eV:	-5.83(-3.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;5-chloro-7-iodoquinolin-8-ol;dodecyl-dimethyl-(2-phenoxyethyl)azanium;hydron;bromide;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSCC1=NC2=CC=CC=C2[NH2+]1.[Cl-]

DOS

IR

Vibrations