Geometry & MOs

Info

ID:	405627
PubChem CID:	135074731
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	267.134482
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	1.98
IP(EA), eV:	-10.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z)-1-ethoxy-3-hydroxy-1,6-dioxoundeca-2,10-diene-2-diazonium

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\CCC(=O)CCCC=C)/[O-])/[N+]#N

DOS

IR

Vibrations