Geometry & MOs

Info

ID:	14939
PubChem CID:	424892
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-168.59
Dipole, Da:	7.43
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NC(CO)C(=O)O)O

DOS

IR

Vibrations