Geometry & MOs

Info

ID:	339150
PubChem CID:	127260529
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	208.037173
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	5.29
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-carboxy-2-hydroxyethenyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations