Geometry & MOs

Info

ID:	180819
PubChem CID:	76690464
Reduced:	IrYN3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	424.178686
ΔH_f, kcal/mol:	127.51
Dipole, Da:	13.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797296
Charge, e:	0

Chem-info

IUPAC name:

dilithium;2-(5-methyl-3H-pyrazol-3-id-2-yl)-6-[2-[6-[5-(trifluoromethyl)-3H-pyrazol-3-id-2-yl]pyridin-2-yl]propan-2-yl]pyridine

Drug info:

PubChemData

Smile

[CH3-].C1=CC=C2C3=C(N=CC=C3)[N+]4=[C-]C=NC4C2=C1.[Y].[Ir]

DOS

IR

Vibrations