Geometry & MOs

Info

ID:

388615

PubChem CID:

134989665

Reduced:

ClOC9H12 (1)

Stoich.:

ABC9D12 (1)

Weight, g/mol:

249.063722

ΔHf, kcal/mol:

-49.21

Dipole, Da:

1.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.014701

Charge, e:

 0

Chem-info

IUPAC name:

N-hydroxy-8-methoxy-4-methyl-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C([O+]=C(C(=C1Cl)C)C)C

DOS

IR

Vibrations