Geometry & MOs

Info

ID:	226790
PubChem CID:	87558328
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	678.243915
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	3.7
IP(EA), eV:	-9.93(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CC)(C=O)C=O

DOS

IR

Vibrations