Geometry & MOs

Info

ID:	228085
PubChem CID:	87563364
Reduced:	ClN2O3H5C6 (1)
Stoich.:	AB2C3D5E6 (1)
Weight, g/mol:	304.95489
ΔH_f, kcal/mol:	12.32
Dipole, Da:	5.57
IP(EA), eV:	-9.67(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-iodoacetyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C([N+](=C1)[O-])Cl)[N+](=O)[O-]

DOS

IR

Vibrations