Geometry & MOs

Info

ID:	13446
PubChem CID:	232754
Reduced:	NO3H6C7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	304.069536
ΔH_f, kcal/mol:	-213.99
Dipole, Da:	4.34
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(4-amino-2-carboxy-5-hydroxyphenyl)-4-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)N)C(=O)O)C2=CC(=C(C=C2C(=O)O)N)O

DOS

IR

Vibrations