Geometry & MOs

Info

ID:	373122
PubChem CID:	131310316
Reduced:	BrNSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	347.92187
ΔH_f, kcal/mol:	3.86
Dipole, Da:	2.98
IP(EA), eV:	-9.55(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-iodo-2-(trifluoromethoxy)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)C=O)CBr)[N+](=O)[O-]

DOS

IR

Vibrations