Geometry & MOs

Info

ID:

85370

PubChem CID:

49874490

Reduced:

CoH2N2O6 (1)

Stoich.:

AB2C2D6 (1)

Weight, g/mol:

209.068808

ΔHf, kcal/mol:

-103.6

Dipole, Da:

4.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.829588

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-methoxy-5-nitrophenyl)propan-1-one

Drug info:

PubChemData

Smile

[N+](=O)(O)[O-].[N+](=O)(O)[O-].[Co]

DOS

IR

Vibrations