Geometry & MOs

Info

ID:	248408
PubChem CID:	103081389
Reduced:	F2N3O3C11H11 (1)
Stoich.:	A2B3C3D11E11 (1)
Weight, g/mol:	236.072097
ΔH_f, kcal/mol:	-98.88
Dipole, Da:	4.11
IP(EA), eV:	-9.45(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)NCCOCC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations