Geometry & MOs

Info

ID:	227142
PubChem CID:	87560328
Reduced:	Cl2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	554.212615
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	4.4
IP(EA), eV:	-8.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;3-(3-methylcyclopenta-1,4-dien-1-yl)furan;propan-2-ylidenezirconium(2+)

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(Cl)Cl)OCC2=CC=CC=C2/C(=N/OC)/C(=O)NC

DOS

IR

Vibrations