Geometry & MOs

Info

ID:	290548
PubChem CID:	104643861
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	2.99
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-chloro-4-methylanilino)-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations