Geometry & MOs

Info

ID:

134196

PubChem CID:

51661423

Reduced:

O4N5H10C15 (1)

Stoich.:

A4B5C10D15 (1)

Weight, g/mol:

325.081104

ΔHf, kcal/mol:

50.1

Dipole, Da:

7.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.941737

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-hydroxypyridin-2-yl)-4-imidazol-1-yl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])[O-]

DOS

IR

Vibrations