Geometry & MOs

Info

ID:	412252
PubChem CID:	135085136
Reduced:	GaO4H24C40 (1)
Stoich.:	AB4C24D40 (1)
Weight, g/mol:	428.88613
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	9.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.376720
Charge, e:	-1

Chem-info

IUPAC name:

methyl(phenyl)azanide;tetrachlorotantalum

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)O[Ga-]6(O3)OC7=C(C8=CC=CC=C8C=C7)C9=C(O6)C=CC1=CC=CC=C19

DOS

IR

Vibrations