Geometry & MOs

Info

ID:

148669

PubChem CID:

53788337

Reduced:

N2O2C22H25 (1)

Stoich.:

A2B2C22D25 (1)

Weight, g/mol:

474.4913

ΔHf, kcal/mol:

6.5

Dipole, Da:

1.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.278579

Charge, e:

 0

Chem-info

IUPAC name:

2-nonacosan-11-yl-1H-imidazole

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1=CC=C(C=C1)C#[N+]N=CC2=CC=CC=C2

DOS

IR

Vibrations