Geometry & MOs

Info

ID:	265367
PubChem CID:	103518868
Reduced:	BrN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	336.96982
ΔH_f, kcal/mol:	-55.86
Dipole, Da:	6.75
IP(EA), eV:	-9.97(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-5-nitropyridin-4-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)C2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations