Geometry & MOs

Info

ID:	177344
PubChem CID:	76170140
Reduced:	BrFN3O3H11C17 (1)
Stoich.:	ABC3D3E11F17 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	9.45
IP(EA), eV:	-8.98(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-methyl-1,6-diphenyl-3-(tetrazolidine-5-carbonyl)pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C=NNC(=O)C2=C(C3C=C(C=CC3=NC2=O)Br)O

DOS

IR

Vibrations