Geometry & MOs

Info

ID:	30746
PubChem CID:	841792
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	6.87
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,6-dimethylanilino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations