Geometry & MOs

Info

ID:

386186

PubChem CID:

134981017

Reduced:

TiC13H13 (1)

Stoich.:

AB13C13 (1)

Weight, g/mol:

303.972123

ΔHf, kcal/mol:

99.63

Dipole, Da:

3.9

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.933348

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C\1=C\C=C/C=C\C=C1.C1=C[CH]C=C1.[Ti]

DOS

IR

Vibrations