Geometry & MOs

Info

ID:

412613

PubChem CID:

135085510

Reduced:

NO2C48H71 (2)

Stoich.:

AB2C48D71 (2)

Weight, g/mol:

744.177753

ΔHf, kcal/mol:

-256.58

Dipole, Da:

2.52

IP(EA), eV:

 -8.7(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

carbanide;[3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium;ruthenium(1+)

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C(CC(=O)N(C2CCCCC2N(C(=O)CC(C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)(C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)O)O)(C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations