Geometry & MOs

Info

ID:	436995
PubChem CID:	135213574
Reduced:	Cl2N3O4H17C22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	6.69
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[acetyl(ethyl)amino]phenyl]acetic acid

Drug info:

PubChemData

Smile

CN1C[C@@]2(C3=C(C4=C(C5=C(N4[C@@]2(C1=O)O)C=C(C=C5)Cl)OC)NC6=C3C=C(C=C6)Cl)O

DOS

IR

Vibrations