Geometry & MOs

Info

ID:	400371
PubChem CID:	135047728
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	326.024145
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	1.98
IP(EA), eV:	-9.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;[(1S)-3-methoxycyclohexa-2,4-dien-1-yl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C=C/C=C\CO

DOS

IR

Vibrations