Geometry & MOs

Info

ID:	229259
PubChem CID:	87567281
Reduced:	O2N7F8H31C34 (1)
Stoich.:	A2B7C8D31E34 (1)
Weight, g/mol:	560.101032
ΔH_f, kcal/mol:	-321.55
Dipole, Da:	3.51
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-butyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

Drug info:

PubChemData

Smile

CN1C(C2=C(N=C(C=C2)C3=C(C=CC=C3N4CCN(CC4)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C(F)(F)F)N(C1N)OC(=O)C(F)(F)F)N

DOS

IR

Vibrations