Geometry & MOs

Info

ID:	163571
PubChem CID:	58036461
Reduced:	BIrF2N3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	418.06892
ΔH_f, kcal/mol:	128.38
Dipole, Da:	21.34
IP(EA), eV:	-9.49(-5.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(C=CN1C2=C(C=C(C=N2)F)F)C3=CC=CC=C3.[Ir]

DOS

IR

Vibrations