Geometry & MOs

Info

ID:	372537
PubChem CID:	131299394
Reduced:	BrNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	280.96876
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	3.77
IP(EA), eV:	-9.72(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-4-methyl-2-oxo-3H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=CC(=NC(=O)C2C=C1Br)CC(=O)O

DOS

IR

Vibrations