Geometry & MOs

Info

ID:	56961
PubChem CID:	22395076
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	443.998905
ΔH_f, kcal/mol:	-127.56
Dipole, Da:	1.49
IP(EA), eV:	-9.41(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-(5-methyl-1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium(4+);dichloride

Drug info:

PubChemData

Smile

CC(C)OC(CC(=O)OC)C1=CC=CC=C1

DOS

IR

Vibrations