Geometry & MOs

Info

ID:	411025
PubChem CID:	135083830
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	205.097703
ΔH_f, kcal/mol:	-3.88
Dipole, Da:	3.71
IP(EA), eV:	-9.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(2-ethoxyphenyl)-1-hydroxyprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C(=C(/C)\[N+]#N)/[O-]

DOS

IR

Vibrations