Geometry & MOs

Info

ID:	447451
PubChem CID:	135282985
Reduced:	NZnO3C7H15 (1)
Stoich.:	ABC3D7E15 (1)
Weight, g/mol:	495.91477
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	15.3
IP(EA), eV:	-8.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-chloro-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-3-hydroxyisoindol-1-one

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(CC(=O)[O-])O.[Zn]

DOS

IR

Vibrations