Geometry & MOs

Info

ID:	51191
PubChem CID:	12013826
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	217.097703
ΔH_f, kcal/mol:	2.36
Dipole, Da:	3.09
IP(EA), eV:	-9.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-hydroxy-2-[(E)-3-phenylbut-2-enoxy]ethenediazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations