Geometry & MOs

Info

ID:	386529
PubChem CID:	134982045
Reduced:	O3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	353.035044
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	3.89
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(2E,4Z,6S)-6-phenylmethoxyhepta-2,4-dienenitrile

Drug info:

PubChemData

Smile

COC(=O)CCC[C@@H]1[C@H](O1)/C=C/C=C/COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations