Geometry & MOs

Info

ID:	49439
PubChem CID:	11533026
Reduced:	N2O3Cl4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	476.004203
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	6.23
IP(EA), eV:	-8.66(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)anilino]cyclobutane-1,2,3-trione;dihydrochloride

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC=C(C=C3)NC4C(=O)C(=O)C4=O.Cl.Cl

DOS

IR

Vibrations