Geometry & MOs

Info

ID:

12800

PubChem CID:

145673

Reduced:

NO2C6H12 (1)

Stoich.:

AB2C6D12 (1)

Weight, g/mol:

130.086804

ΔHf, kcal/mol:

-57.1

Dipole, Da:

6.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751723

Charge, e:

 1

Chem-info

IUPAC name:

4,4-dimethylmorpholin-4-ium-2-one

Drug info:

PubChemData

Smile

C[N+]1(CCOC(=O)C1)C

DOS

IR

Vibrations