Geometry & MOs

Info

ID:	412350
PubChem CID:	135085240
Reduced:	ON3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	478.232436
ΔH_f, kcal/mol:	34.4
Dipole, Da:	2.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779557
Charge, e:	0

Chem-info

IUPAC name:

dimethylazanide;2-(3,5-dimethylpyrrol-1-id-2-yl)pyridine;titanium(4+)

Drug info:

PubChemData

Smile

CN1C=[N+]2[C@H](COCC2=N1)CC3=CC=CC=C3

DOS

IR

Vibrations