Geometry & MOs

Info

ID:	408908
PubChem CID:	135081680
Reduced:	BSiZrF15H20C31 (1)
Stoich.:	ABCD15E20F31 (1)
Weight, g/mol:	783.999602
ΔH_f, kcal/mol:	-530.27
Dipole, Da:	3.19
IP(EA), eV:	-7.26(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B([CH-]/C=C(/C)\[CH2-])(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C[Si](C)(C)C1=CC=C[CH]1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Zr+3]

DOS

IR

Vibrations