Geometry & MOs

Info

ID:	128847
PubChem CID:	51060532
Reduced:	O3N5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	346.046882
ΔH_f, kcal/mol:	9.56
Dipole, Da:	6.9
IP(EA), eV:	-8.39(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-N-phenyloxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations