Geometry & MOs

Info

ID:	56962
PubChem CID:	22395084
Reduced:	ZrCl2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	286.172151
ΔH_f, kcal/mol:	83.02
Dipole, Da:	2.82
IP(EA), eV:	-5.61(-3.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-(5-methyl-1H-inden-2-yl)ethyl]-1H-indene

Drug info:

PubChemData

Smile

CC1=CC2=C([CH-]C(=C2)CCC3=CC4=C([CH-]3)C=CC(=C4)C)C=C1.[Cl-].[Cl-].[Zr+4]

DOS

IR

Vibrations