Geometry & MOs

Info

ID:	290547
PubChem CID:	104643816
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	5.5
IP(EA), eV:	-8.63(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC(C)(C(=O)O)O)C

DOS

IR

Vibrations