Geometry & MOs

Info

ID:	408909
PubChem CID:	135081681
Reduced:	BZrH14F15C32 (1)
Stoich.:	ABC14D15E32 (1)
Weight, g/mol:	786.015252
ΔH_f, kcal/mol:	-522.93
Dipole, Da:	9.85
IP(EA), eV:	-7.22(-1.81)
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.C1=CC=C2[CH]C=CC2=C1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Zr+3]

DOS

IR

Vibrations