Geometry & MOs

Info

ID:	284921
PubChem CID:	104083660
Reduced:	ClN3O4H6C10 (1)
Stoich.:	AB3C4D6E10 (1)
Weight, g/mol:	266.96434
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	1.92
IP(EA), eV:	-10.48(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-pyridin-4-ylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations