Geometry & MOs

Info

ID:

412547

PubChem CID:

135085443

Reduced:

PdN2O2H23C27 (1)

Stoich.:

AB2C2D23E27 (1)

Weight, g/mol:

915.220488

ΔHf, kcal/mol:

144.93

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.336066

Charge, e:

 0

Chem-info

IUPAC name:

1-N,2-N-bis[(R)-[4-(dimethylamino)pyridin-2-yl]-phenylmethyl]-1-N,2-N-dimethylcyclohexane-1,2-diamine;manganese(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[CH3-].COC1=CC=C(C=C1)N=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=C(C=C5)OC.[Pd]

DOS

IR

Vibrations