Geometry & MOs

Info

ID:	226808
PubChem CID:	87558434
Reduced:	Cl2N2O5H10C18 (1)
Stoich.:	A2B2C5D10E18 (1)
Weight, g/mol:	571.14758
ΔH_f, kcal/mol:	104.01
Dipole, Da:	7.05
IP(EA), eV:	-9.94(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-ditert-butyl-9-(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide;zirconium(3+);dichloride

Drug info:

PubChemData

Smile

C#CCC1=C(C=CC(=C1[N+](=O)[O-])OC2=C(C(=C(C=C2)Cl)CC#C)[N+](=O)[O-])Cl

DOS

IR

Vibrations