Geometry & MOs

Info

ID:	268636
PubChem CID:	103600273
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	284.054555
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	2.86
IP(EA), eV:	-9.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(6-oxo-1H-pyridazine-3-carbonyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC(=O)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations