Geometry & MOs

Info

ID:	140948
PubChem CID:	52788609
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	377.103
ΔH_f, kcal/mol:	-137.72
Dipole, Da:	1.79
IP(EA), eV:	-8.35(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-hydroxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CC4=CC(=CC=C4)O

DOS

IR

Vibrations