Geometry & MOs

Info

ID:

412646

PubChem CID:

135085543

Reduced:

LuNOPSi2C39H56 (1)

Stoich.:

ABCDE2F39G56 (1)

Weight, g/mol:

686.319713

ΔHf, kcal/mol:

-467.53

Dipole, Da:

7.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.298041

Charge, e:

 1

Chem-info

IUPAC name:

(2,6-dimethylphenyl)-[(2-diphenylphosphaniumylphenyl)methyl]azanide;methanidyl(trimethyl)silane;oxolane;scandium(3+)

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)[N-]CC2=CC=CC=C2[PH+](C3=CC=CC=C3)C4=CC=CC=C4.C[Si](C)(C)[CH2-].C[Si](C)(C)[CH2-].C1CCOC1.[Lu+3]

DOS

IR

Vibrations