Geometry & MOs

Info

ID:

228084

PubChem CID:

87563361

Reduced:

N2O2C5H9 (1)

Stoich.:

A2B2C5D9 (1)

Weight, g/mol:

187.99887

ΔHf, kcal/mol:

-52.6

Dipole, Da:

2.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756159

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-5-methyl-3-nitro-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

C1CC(N(C1)[O-])C(=O)N

DOS

IR

Vibrations