Geometry & MOs

Info

ID:	56951
PubChem CID:	22395026
Reduced:	OH28C29 (1)
Stoich.:	AB28C29 (1)
Weight, g/mol:	236.971722
ΔH_f, kcal/mol:	40.45
Dipole, Da:	1.76
IP(EA), eV:	-8.7(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,7a-tetrahydro-1H-inden-3-ide;titanium(3+);dichloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations