Geometry & MOs

Info

ID:

48851

PubChem CID:

11528398

Reduced:

OH4N5C6 (1)

Stoich.:

AB4C5D6 (1)

Weight, g/mol:

160.979905

ΔHf, kcal/mol:

93.83

Dipole, Da:

1.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.050534

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-3-(chloromethyl)pyridine

Drug info:

PubChemData

Smile

C1=CNN2C1=NC=C(C2=O)[N+]#N

DOS

IR

Vibrations