Geometry & MOs

Info

ID:

230188

PubChem CID:

87570382

Reduced:

TiCl2H7C9 (1)

Stoich.:

AB2C7D9 (1)

Weight, g/mol:

375.03081

ΔHf, kcal/mol:

-15.37

Dipole, Da:

1.45

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.179326

Charge, e:

0

Chem-info

IUPAC name:

N-[2-(2,4,6-trichloro-3-propylphenoxy)ethyl]imidazole-1-carboxamide

Drug info:

PubChemData

Smile

[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Ti+3]

DOS

IR

Vibrations