Geometry & MOs

Info

ID:	400985
PubChem CID:	135049622
Reduced:	FeP2O4C28H28 (1)
Stoich.:	AB2C4D28E28 (1)
Weight, g/mol:	111.055838
ΔH_f, kcal/mol:	24.08
Dipole, Da:	1.41
IP(EA), eV:	-7.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z,4Z)-5-hydroxypenta-2,4-diene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)(C)C1=C([P@]1P2C(=C2C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations