Geometry & MOs

Info

ID:	12247
PubChem CID:	133472
Reduced:	NO7C13H13 (1)
Stoich.:	AB7C13D13 (1)
Weight, g/mol:	295.069202
ΔH_f, kcal/mol:	-287.27
Dipole, Da:	6.04
IP(EA), eV:	-9.39(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-5-(3-carboxypropanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)NC(=O)CCC(=O)O)C(=O)O

DOS

IR

Vibrations