Geometry & MOs

Info

ID:	386637
PubChem CID:	134982415
Reduced:	FeNO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	306.019059
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	5.95
IP(EA), eV:	-7.35(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;methyl (2S,3E)-2-prop-2-enylhexa-3,5-dienoate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H]2C=CC=C[C@@]2(C(=O)N1C)CC3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations