Geometry & MOs

Info

ID:	395157
PubChem CID:	135024791
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	249.087532
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	3.29
IP(EA), eV:	-9.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-ethoxy-2-hydroxy-1-(4-methoxycarbonylphenyl)ethenediazonium

Drug info:

PubChemData

Smile

CCO/C(=C(/C1=CC=C(C=C1)C(=O)OC)\[N+]#N)/[O-]

DOS

IR

Vibrations