Geometry & MOs

Info

ID:	53656
PubChem CID:	14717688
Reduced:	O4F15H27C29 (1)
Stoich.:	A4B15C27D29 (1)
Weight, g/mol:	233.084005
ΔH_f, kcal/mol:	-890.97
Dipole, Da:	6.7
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron(3+);propan-1-olate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations