Geometry & MOs

Info

ID:	230187
PubChem CID:	87570376
Reduced:	N2F3O6H21C22 (1)
Stoich.:	A2B3C6D21E22 (1)
Weight, g/mol:	232.940422
ΔH_f, kcal/mol:	-314.09
Dipole, Da:	9.81
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1CC(C[N+](C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C3=CC=C(C=C3)CC(F)(F)F

DOS

IR

Vibrations