Geometry & MOs

Info

ID:

182044

PubChem CID:

76832499

Reduced:

RuN3C29H36 (1)

Stoich.:

AB3C29D36 (1)

Weight, g/mol:

639.221343

ΔHf, kcal/mol:

131.04

Dipole, Da:

5.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770188

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2CCN([CH-]2)C3=C(C=C(C=C3C)C)C)C.C1=CC=NC(=C1)CCC=[Ru+]

DOS

IR

Vibrations