Geometry & MOs

Info

ID:	290546
PubChem CID:	104643781
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	6.34
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethylanilino)-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CNC1=CC=C(C=C1)C#N)(C(=O)OC)O

DOS

IR

Vibrations