Geometry & MOs

Info

ID:	398987
PubChem CID:	135036785
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	253.118832
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	2.4
IP(EA), eV:	-10.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-ethoxy-3-hydroxy-1-oxo-4-(3-oxocyclohexyl)but-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CC1CCCC(=O)C1)\[O-])/[N+]#N

DOS

IR

Vibrations