Geometry & MOs

Info

ID:

166626

PubChem CID:

74718332

Reduced:

FN2O5H16C20 (1)

Stoich.:

AB2C5D16E20 (1)

Weight, g/mol:

296.197417

ΔHf, kcal/mol:

-117.25

Dipole, Da:

11.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.932869

Charge, e:

 1

Chem-info

IUPAC name:

ethyl 4-methyl-6-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)F)OC)C(=NC1=O)[O-]

DOS

IR

Vibrations