Geometry & MOs

Info

ID:	400429
PubChem CID:	135047882
Reduced:	FeO4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	399.017025
ΔH_f, kcal/mol:	62.93
Dipole, Da:	2.81
IP(EA), eV:	-6.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[(1S,2E,4E)-1-cyanohexa-2,4-dienyl] diethyl phosphate;iron

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)/C=C\C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations