Geometry & MOs

Info

ID:	8913
PubChem CID:	83451
Reduced:	NCl2H3O4C8 (1)
Stoich.:	AB2C3D4E8 (1)
Weight, g/mol:	246.943913
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	0.98
IP(EA), eV:	-11.85(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitrobenzene-1,3-dicarbonyl chloride

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)Cl)[N+](=O)[O-])C(=O)Cl

DOS

IR

Vibrations