Geometry & MOs

Info

ID:	374596
PubChem CID:	131331910
Reduced:	BrNF3O3H5C7 (1)
Stoich.:	ABC3D3E5F7 (1)
Weight, g/mol:	286.94049
ΔH_f, kcal/mol:	-250.9
Dipole, Da:	3.62
IP(EA), eV:	-9.4(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

COC1=C(NC(=O)C(=C1)Br)OC(F)(F)F

DOS

IR

Vibrations