Geometry & MOs

Info

ID:	15343
PubChem CID:	438475
Reduced:	TiN3O4H31C32 (1)
Stoich.:	AB3C4D31E32 (1)
Weight, g/mol:	569.179397
ΔH_f, kcal/mol:	-1.64
Dipole, Da:	7.11
IP(EA), eV:	-8.57(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

ethanolate;2-methyl-2H-quinolin-1-id-8-olate;2-methylquinolin-8-olate;titanium(4+)

Drug info:

PubChemData

Smile

CC[O-].CC1C=CC2=C([N-]1)C(=CC=C2)[O-].CC1C=CC2=C([N-]1)C(=CC=C2)[O-].CC1=NC2=C(C=CC=C2[O-])C=C1.[Ti+4]

DOS

IR

Vibrations