Geometry & MOs

Info

ID:	386690
PubChem CID:	134982548
Reduced:	FeO5C13H14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	3.06
IP(EA), eV:	-7.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3E)-2-prop-2-enylhexa-3,5-dienoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC=C)/C=C/C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations