Geometry & MOs

Info

ID:	49440
PubChem CID:	11533027
Reduced:	N2O3Cl4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	402.053798
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	8.25
IP(EA), eV:	-8.86(-1.2)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations