Geometry & MOs

Info

ID:	405150
PubChem CID:	135072787
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	309.181432
ΔH_f, kcal/mol:	-118.93
Dipole, Da:	2.11
IP(EA), eV:	-9.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-ethoxy-1-hydroxy-3-oxo-1-(5-propylocta-3,4-dienoxy)prop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations