Geometry & MOs

Info

ID:

192969

PubChem CID:

78330264

Reduced:

FN3O3C15H21 (1)

Stoich.:

AB3C3D15E21 (1)

Weight, g/mol:

309.14887

ΔHf, kcal/mol:

-139.38

Dipole, Da:

6.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.068548

Charge, e:

 0

Chem-info

IUPAC name:

5-[diethylamino-(4-fluorophenyl)methyl]-6-hydroxy-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC[NH+](CC)C(C1C(NC(=O)NC1=O)O)C2=CC=C(C=C2)F

DOS

IR

Vibrations