Geometry & MOs

Info

ID:	411450
PubChem CID:	135084281
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	227.103182
ΔH_f, kcal/mol:	-125.26
Dipole, Da:	3.34
IP(EA), eV:	-9.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z,3E)-1,5-diethoxy-1-hydroxy-3-methyl-5-oxopenta-1,3-diene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations