Geometry & MOs

Info

ID:	230157
PubChem CID:	87570323
Reduced:	SN2C6H10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	246.956072
ΔH_f, kcal/mol:	32.65
Dipole, Da:	7.67
IP(EA), eV:	-8.97(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1H-inden-1-ide;titanium(3+);dichloride

Drug info:

PubChemData

Smile

CCN/C(=C/C#N)/SC

DOS

IR

Vibrations