Geometry & MOs

Info

ID:	56770
PubChem CID:	22389589
Reduced:	ClO2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	298.04399
ΔH_f, kcal/mol:	-72.63
Dipole, Da:	1.0
IP(EA), eV:	-10.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

sodium;2-(4-nitro-2,1,3-benzoxadiazol-7-yl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC(=C)Cl

DOS

IR

Vibrations