Geometry & MOs

Info

ID:

412318

PubChem CID:

135085205

Reduced:

AlClN2O2H58C64 (1)

Stoich.:

ABC2D2E58F64 (1)

Weight, g/mol:

973.194794

ΔHf, kcal/mol:

-31.38

Dipole, Da:

4.41

IP(EA), eV:

 -7.45(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphanium;carbanide;dichlororuthenium(2+);pyridin-2-ylmethylazanide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=CC(=C3C4=C2C=CC(=N4)C5=C(C6=CC=CC=C6C=C5)C7=C(C=CC8=CC=CC=C87)C9=NC1=C(C=C9)C(=CC(=C1O[Al](O3)Cl)C(C)(C)C)C1=C(C=C(C=C1C)C)C)C(C)(C)C)C

DOS

IR

Vibrations