Geometry & MOs

Info

ID:	8775
PubChem CID:	81375
Reduced:	ClNO4C8H8 (1)
Stoich.:	ABC4D8E8 (1)
Weight, g/mol:	217.014185
ΔH_f, kcal/mol:	-178.94
Dipole, Da:	7.65
IP(EA), eV:	-9.55(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminophthalic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl

DOS

IR

Vibrations