Geometry & MOs

Info

ID:	318064
PubChem CID:	126648803
Reduced:	ON5F6H9C14 (1)
Stoich.:	AB5C6D9E14 (1)
Weight, g/mol:	352.02227
ΔH_f, kcal/mol:	-239.46
Dipole, Da:	4.16
IP(EA), eV:	-9.16(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)COC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations