Geometry & MOs

Info

ID:	413563
PubChem CID:	135086512
Reduced:	O2N3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	228.077302
ΔH_f, kcal/mol:	41.06
Dipole, Da:	5.93
IP(EA), eV:	-9.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z,3E)-4-(4-cyanophenyl)-1-hydroxy-1-methoxybuta-1,3-diene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations