Geometry & MOs

Info

ID:	35333
PubChem CID:	7979714
Reduced:	ClN3O6H12C15 (1)
Stoich.:	AB3C6D12E15 (1)
Weight, g/mol:	324.031313
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	6.49
IP(EA), eV:	-9.55(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations