Geometry & MOs

Info

ID:

136330

PubChem CID:

52023718

Reduced:

FO2N4C16H20 (1)

Stoich.:

AB2C4D16E20 (1)

Weight, g/mol:

310.9461

ΔHf, kcal/mol:

-51.46

Dipole, Da:

17.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.885350

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-bromo-2-chloropyridin-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)NC(=O)C2=NN(C3=C(C2=O)C=C(C=C3)F)C

DOS

IR

Vibrations