Geometry & MOs

Info

ID:	265370
PubChem CID:	103518899
Reduced:	BrN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	370.93085
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	4.13
IP(EA), eV:	-9.71(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-5-nitropyridin-4-yl)amino]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations