Geometry & MOs

Info

ID:

227630

PubChem CID:

87562129

Reduced:

ClN2O3H6C7 (1)

Stoich.:

AB2C3D6E7 (1)

Weight, g/mol:

420.158626

ΔHf, kcal/mol:

-46.67

Dipole, Da:

4.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.433860

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzylamino)-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=[N+]1[O-])Cl)NC(=O)[O-]

DOS

IR

Vibrations