Geometry & MOs

Info

ID:	389167
PubChem CID:	134991385
Reduced:	FeOP2H36C42 (1)
Stoich.:	ABC2D36E42 (1)
Weight, g/mol:	553.185015
ΔH_f, kcal/mol:	63.33
Dipole, Da:	23.49
IP(EA), eV:	-5.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CO[C@H](C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)[C]4[CH][CH][CH][C]4P(C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations