Geometry & MOs

Info

ID:	400431
PubChem CID:	135047884
Reduced:	NPO4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	298.013974
ΔH_f, kcal/mol:	-199.51
Dipole, Da:	0.79
IP(EA), eV:	-9.43(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;(2E,4E)-6-(2-hydroxyethoxy)hexa-2,4-dien-1-ol;iron

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)O[C@@H](/C=C/C=C/C)C#N

DOS

IR

Vibrations