Geometry & MOs

Info

ID:	400454
PubChem CID:	135047997
Reduced:	FeNO7H17C19 (1)
Stoich.:	ABC7D17E19 (1)
Weight, g/mol:	356.034709
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	8.4
IP(EA), eV:	-7.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=N[C@H]3C=C(C=C[C@H]3C2=C(C1=O)OC)OC)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations