Geometry & MOs

Info

ID:	400370
PubChem CID:	135047727
Reduced:	FeO6C13H14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	6.75
IP(EA), eV:	-7.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E,6Z)-8-hydroxyocta-2,4,6-trienoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C=C/C=C\CO.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations