Geometry & MOs

Info

ID:	22360
PubChem CID:	596938
Reduced:	NO6C13H15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	281.089937
ΔH_f, kcal/mol:	-242.39
Dipole, Da:	7.66
IP(EA), eV:	-9.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-acetamido-2-carboxyethyl)-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=C(C=C1)OC)C(=O)O)C(=O)O

DOS

IR

Vibrations