Geometry & MOs

Info

ID:	400369
PubChem CID:	135047725
Reduced:	IrOPC29H30 (1)
Stoich.:	ABCD29E30 (1)
Weight, g/mol:	322.013974
ΔH_f, kcal/mol:	59.29
Dipole, Da:	39.9
IP(EA), eV:	-9.01(-4.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;ethyl (2E,4E,6Z)-8-hydroxyocta-2,4,6-trienoate;iron

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

DOS

IR

Vibrations