Geometry & MOs

Info

ID:	296660
PubChem CID:	117587848
Reduced:	ClNO4C8H10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	228.03017
ΔH_f, kcal/mol:	-184.72
Dipole, Da:	5.86
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-cyano-2-hydroxyphenyl)acetic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CN)O)O)C(=O)O.Cl

DOS

IR

Vibrations