Geometry & MOs

Info

ID:	53354
PubChem CID:	14710607
Reduced:	FeO7C15H18 (1)
Stoich.:	AB7C15D18 (1)
Weight, g/mol:	366.040189
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	1.46
IP(EA), eV:	-6.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[(2S)-1-ethoxy-1-oxopropan-2-yl] (E)-4-methylidenehex-2-enoate;iron

Drug info:

PubChemData

Smile

CCC(=C)/C=C/C(=O)OC(C)C(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations