Geometry & MOs

Info

ID:	49438
PubChem CID:	11533025
Reduced:	ClON5C27H30 (1)
Stoich.:	ABC5D27E30 (1)
Weight, g/mol:	476.004203
ΔH_f, kcal/mol:	34.88
Dipole, Da:	3.14
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NC2=CC=CC=C2N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations