Geometry & MOs

Info

ID:	389777
PubChem CID:	134995171
Reduced:	FeO5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	0.37
Dipole, Da:	2.55
IP(EA), eV:	-6.5(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3E)-2-methylhexa-3,5-dienoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations