Geometry & MOs

Info

ID:	404052
PubChem CID:	135064809
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	249.087532
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	1.66
IP(EA), eV:	-9.42(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-ethoxy-2-hydroxy-1-[4-(hydroxymethyl)phenyl]-3-oxoprop-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C1=CC=C(C=C1)CO)\[N+]#N)/[O-]

DOS

IR

Vibrations