Geometry & MOs

Info

ID:	293518
PubChem CID:	117392275
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	3.99
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-6-hydroxy-2-(4-oxobutan-2-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC12COC3=C(C=C(C(=C3)CON)Cl)OC2

DOS

IR

Vibrations