Geometry & MOs

Info

ID:	404050
PubChem CID:	135064807
Reduced:	N2O5C10H12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	241.082447
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	2.73
IP(EA), eV:	-9.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2E,4E)-1,6-diethoxy-2-hydroxy-1,6-dioxohexa-2,4-diene-3-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations