Geometry & MOs

Info

ID:	226729
PubChem CID:	87557873
Reduced:	NOTiCl2H24C25 (1)
Stoich.:	ABCD2E24F25 (1)
Weight, g/mol:	365.951955
ΔH_f, kcal/mol:	68.45
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.795545
Charge, e:	0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylbenzene;zirconium(4+);dichloride

Drug info:

PubChemData

Smile

CCCC(=O)[N-]C(C)C1=CC=CC=C1C2=CC=CC3=C2CC4=CC=CC=C43.Cl[Ti]Cl

DOS

IR

Vibrations