Geometry & MOs

Info

ID:	408906
PubChem CID:	135081678
Reduced:	BZrH14F15C29 (1)
Stoich.:	ABC14D15E29 (1)
Weight, g/mol:	414.063762
ΔH_f, kcal/mol:	-642.62
Dipole, Da:	8.4
IP(EA), eV:	-9.35(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbut-2-enyl-bis(2,3,4,5,6-pentafluorophenyl)borane

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.CC1=CC=C[CH]1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Zr+3]

DOS

IR

Vibrations