Geometry & MOs

Info

ID:

412610

PubChem CID:

135085507

Reduced:

ORuCl2N2P2H44C52 (1)

Stoich.:

ABC2D2E2F44G52 (1)

Weight, g/mol:

952.115642

ΔHf, kcal/mol:

1200.68

Dipole, Da:

26.33

IP(EA), eV:

 -5.06(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dichloroiron;(1R,8S,9R)-8,10,10-trimethyl-5-[6-[6-[6-[6-[(1R,8S,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene;hydrate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C([N-]1)C3C4=CC=CC=C4C[N-]3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4[PH+](C5=CC=CC=C5)C6=CC=CC=C6.Cl[Ru+2]Cl

DOS

IR

Vibrations