Geometry & MOs

Info

ID:	140304
PubChem CID:	52679045
Reduced:	OCl3N3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	421.051545
ΔH_f, kcal/mol:	16.72
Dipole, Da:	10.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997508
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloroquinolin-8-yl)methyl-ethylamino]-N-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC1=C2C(=C(C=C1)Cl)C=CC=N2)CC(=O)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations