Geometry & MOs

Info

ID:	405240
PubChem CID:	135073177
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	245.129003
ΔH_f, kcal/mol:	-22.97
Dipole, Da:	0.88
IP(EA), eV:	-9.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1E,3E)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-4-phenylbuta-1,3-diene-2-diazonium

Drug info:

PubChemData

Smile

CCCCCC=C=CCCO/C(=C\[N+]#N)/[O-]

DOS

IR

Vibrations