Geometry & MOs

Info

ID:

29628

PubChem CID:

835884

Reduced:

N3O3H12C13 (1)

Stoich.:

A3B3C12D13 (1)

Weight, g/mol:

345.147727

ΔHf, kcal/mol:

8.63

Dipole, Da:

7.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.910332

Charge, e:

 0

Chem-info

IUPAC name:

2-N,6-N-dibenzylpyridine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations