Geometry & MOs

Info

ID:	163572
PubChem CID:	58036466
Reduced:	BIrN6C10H10 (1)
Stoich.:	ABC6D10E10 (1)
Weight, g/mol:	418.06892
ΔH_f, kcal/mol:	189.96
Dipole, Da:	17.83
IP(EA), eV:	-9.25(-4.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(CCN1C2=NC=CC=N2)C3=NC=CC=N3.[Ir]

DOS

IR

Vibrations