Geometry & MOs

Info

ID:	384785
PubChem CID:	134977667
Reduced:	O6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	274.02923
ΔH_f, kcal/mol:	-232.3
Dipole, Da:	4.07
IP(EA), eV:	-10.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(3E)-2,5,5-trimethylhepta-1,3-dien-6-yne

Drug info:

PubChemData

Smile

CC(CCCC#CC1C[C@H](C[C@@H]1C(=O)OC)OCOC)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations