Geometry & MOs

Info

ID:	432738
PubChem CID:	135172875
Reduced:	N2O2C15H18 (2)
Stoich.:	A2B2C15D18 (2)
Weight, g/mol:	240.97384
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	6.98
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-hydroxy-2-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC=CC=C5

DOS

IR

Vibrations