Geometry & MOs

Info

ID:	409731
PubChem CID:	135082516
Reduced:	FeP2O4C28H40 (1)
Stoich.:	AB2C4D28E40 (1)
Weight, g/mol:	251.120092
ΔH_f, kcal/mol:	-242.12
Dipole, Da:	2.29
IP(EA), eV:	-7.9(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@@H]([C@@H](P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.C[C@H]1[C@@H]2[C@@H]([C@@H](P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.[Fe]

DOS

IR

Vibrations