Geometry & MOs

Info

ID:	408911
PubChem CID:	135081683
Reduced:	BZrH12F15C28 (1)
Stoich.:	ABC12D15E28 (1)
Weight, g/mol:	1300.975888
ΔH_f, kcal/mol:	-499.24
Dipole, Da:	0.89
IP(EA), eV:	-6.28(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	-1

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=C[CH]C=C1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Zr+3]

DOS

IR

Vibrations