Geometry & MOs

Info

ID:

85575

PubChem CID:

49877104

Reduced:

Cl2N2C5H7 (1)

Stoich.:

A2B2C5D7 (1)

Weight, g/mol:

363.126416

ΔHf, kcal/mol:

48.58

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750025

Charge, e:

 -1

Chem-info

IUPAC name:

2-(3-methylphenyl)-1-(2-phenoxyethyl)benzimidazole;chloride

Drug info:

PubChemData

Smile

C1=CN(C=N1)CCCl.[Cl-]

DOS

IR

Vibrations