Geometry & MOs

Info

ID:	338075
PubChem CID:	127258706
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	314.057257
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	2.74
IP(EA), eV:	-10.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-oxobutanoyloxy)ethyldiazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=N\OCC#C

DOS

IR

Vibrations