Geometry & MOs

Info

ID:	35362
PubChem CID:	7979761
Reduced:	ClN2O6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	338.046963
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	4.89
IP(EA), eV:	-8.57(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-(2-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

DOS

IR

Vibrations