Geometry & MOs

Info

ID:	163671
PubChem CID:	58106633
Reduced:	BFIrNH18C20 (1)
Stoich.:	ABCDE18F20 (1)
Weight, g/mol:	267.966164
ΔH_f, kcal/mol:	153.01
Dipole, Da:	5.21
IP(EA), eV:	-9.09(-5.09)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3a,4,5,9-tetrahydro-3H-cyclopenta[b]naphthalene-3,5-diide;vanadium

Drug info:

PubChemData

Smile

B(C1=NC(=CC=C1)CF)(C2=CC=CC=[C-]2)C3=C(C=CC=C3C)C.[Ir]

DOS

IR

Vibrations