Geometry & MOs

Info

ID:

412543

PubChem CID:

135085439

Reduced:

ON2C22H31 (2)

Stoich.:

AB2C22D31 (2)

Weight, g/mol:

1084.31217

ΔHf, kcal/mol:

-69.11

Dipole, Da:

2.33

IP(EA), eV:

 -8.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[(1R,2R)-2-azanidyl-1,2-diphenylethyl]azanide;[4'-bis(3,5-dimethylphenyl)phosphaniumyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)

Drug info:

PubChemData

Smile

CC(C)(C)C1=C/C(=C/N[C@H]2CCCC[C@@H]2N/C=C\3/C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)CN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations