Geometry & MOs

Info

ID:	163567
PubChem CID:	58036446
Reduced:	BFIrN3C8H10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	668.17233
ΔH_f, kcal/mol:	72.0
Dipole, Da:	22.59
IP(EA), eV:	-9.37(-6.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(CCN1C2=NC=C(C=C2)F)C.[Ir]

DOS

IR

Vibrations