Geometry & MOs

Info

ID:	180692
PubChem CID:	76669703
Reduced:	BIrN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	506.12538
ΔH_f, kcal/mol:	166.12
Dipole, Da:	25.77
IP(EA), eV:	-9.65(-7.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(C=CN1C2=NC=CC(=C2)C(C)(C)C)C.[Ir]

DOS

IR

Vibrations