Geometry & MOs

Info

ID:	22060
PubChem CID:	595925
Reduced:	ClN2H3O3C7 (1)
Stoich.:	AB2C3D3E7 (1)
Weight, g/mol:	197.98322
ΔH_f, kcal/mol:	29.65
Dipole, Da:	1.51
IP(EA), eV:	-9.76(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl chloride

Drug info:

PubChemData

Smile

C1=CC2=[N+](ON=C2C=C1C(=O)Cl)[O-]

DOS

IR

Vibrations