Geometry & MOs

Info

ID:	222286
PubChem CID:	85296252
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	322.013974
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	1.98
IP(EA), eV:	-9.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;ethyl 4,5-dimethyl-2-oxohexa-3,5-dienoate;iron

Drug info:

PubChemData

Smile

CC(CCO)(CCOCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations