Geometry & MOs

Info

ID:	180933
PubChem CID:	76706554
Reduced:	IrN2O2F3C22H24 (1)
Stoich.:	AB2C2D3E22F24 (1)
Weight, g/mol:	245.99499
ΔH_f, kcal/mol:	-55.68
Dipole, Da:	29.92
IP(EA), eV:	-9.03(-5.25)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2-buta-1,3-dienylphenyl)methanamine;yttrium

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C)C2=[C-]C=C(C3=CC=CC=C32)C(F)(F)F.CC(CC(C)O)O.[Ir]

DOS

IR

Vibrations