Geometry & MOs

Info

ID:	131018
PubChem CID:	51145749
Reduced:	Cl2N2O3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	328.001762
ΔH_f, kcal/mol:	-97.82
Dipole, Da:	1.88
IP(EA), eV:	-9.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dichlorophenyl)ethyl]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C(C)NC(=O)C2=CC=CO2

DOS

IR

Vibrations