Geometry & MOs

Info

ID:	400469
PubChem CID:	135048019
Reduced:	BFeO3F4C13H13 (1)
Stoich.:	ABC3D4E13F13 (1)
Weight, g/mol:	313.1129
ΔH_f, kcal/mol:	-365.54
Dipole, Da:	17.21
IP(EA), eV:	-9.42(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCC1=CC=C[CH]C12CC2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations