Geometry & MOs

Info

ID:	25764
PubChem CID:	630500
Reduced:	OF3N3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	330.91663
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	5.24
IP(EA), eV:	-8.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3,5-dichloro-6-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C(=C1)N)N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations