Geometry & MOs

Info

ID:

852

PubChem CID:

3436

Reduced:

NO3H10C15 (1)

Stoich.:

AB3C10D15 (1)

Weight, g/mol:

252.066068

ΔHf, kcal/mol:

7.58

Dipole, Da:

3.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.118564

Charge, e:

 -1

Chem-info

IUPAC name:

5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-]

DOS

IR

Vibrations