Geometry & MOs

Info

ID:	405146
PubChem CID:	135072781
Reduced:	NO2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	323.103182
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	3.71
IP(EA), eV:	-9.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-hydroxy-1-(2-methoxycarbonylphenyl)-3-oxo-4-phenylbut-1-ene-2-diazonium

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1/C(=C(/C(=O)CC2=CC=CC=C2)\[N+]#N)/[O-]

DOS

IR

Vibrations