Geometry & MOs

Info

ID:	226840
PubChem CID:	87558580
Reduced:	BKC44F60 (1)
Stoich.:	ABC44D60 (1)
Weight, g/mol:	108.032363
ΔH_f, kcal/mol:	-3047.01
Dipole, Da:	10.89
IP(EA), eV:	-9.18(-4.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

[B-](C1=C(C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(C2=C(C(=C(C(=C2C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(C3=C(C(=C(C(=C3C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C4=C(C(=C(C(=C4C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.[K+]

DOS

IR

Vibrations