Geometry & MOs

Info

ID:	400470
PubChem CID:	135048020
Reduced:	FeNOC17H23 (1)
Stoich.:	ABCD17E23 (1)
Weight, g/mol:	418.14426
ΔH_f, kcal/mol:	40.82
Dipole, Da:	6.23
IP(EA), eV:	-8.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;(5S)-5-[(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexyl]oxy-2-methoxycyclohexa-1,3-diene;iron

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations