Geometry & MOs

Info

ID:	314623
PubChem CID:	126622479
Reduced:	BrN3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	234.064057
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	4.4
IP(EA), eV:	-9.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetyl-6-oxo-2H-indazol-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1C(N1C(=O)O)C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations