Geometry & MOs

Info

ID:

411758

PubChem CID:

135084592

Reduced:

IrON3C32H48 (1)

Stoich.:

ABC3D32E48 (1)

Weight, g/mol:

683.34266

ΔHf, kcal/mol:

42.59

Dipole, Da:

32.23

IP(EA), eV:

 -9.18(-3.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-2-(1-adamantyl)-4-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]ethyl]-4,5-dihydro-1,3-oxazole;carbanide;iridium(3+)

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC(C)C1=C(C(=CC=C1)C(C)C)N2[CH-]N(C=C2)CC[C@H]3COC(=N3)C45CC6CC(C4)CC(C6)C5.[Ir+3]

DOS

IR

Vibrations