Geometry & MOs

Info

ID:	436159
PubChem CID:	135194243
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	338.136553
ΔH_f, kcal/mol:	-181.47
Dipole, Da:	7.07
IP(EA), eV:	-9.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-carboxyethyl)phenyl]methyl]-2-[(2-methylpropan-2-yl)oxy]propanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCC(CC1=CC=C(C=C1)C2=CC=CC=N2)(C(=O)O)C(=O)O

DOS

IR

Vibrations