Geometry & MOs

Info

ID:	251141
PubChem CID:	103101723
Reduced:	Cl2N3O4C11H11 (1)
Stoich.:	A2B3C4D11E11 (1)
Weight, g/mol:	285.051634
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	5.3
IP(EA), eV:	-10.21(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-chloro-N-ethyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations