Geometry & MOs

Info

ID:	290544
PubChem CID:	104643546
Reduced:	ClN2O2C15H25 (1)
Stoich.:	AB2C2D15E25 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	1.88
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCN(C)C)CC1=C(C(=CC(=C1)Cl)OC)O

DOS

IR

Vibrations