Geometry & MOs

Info

ID:	324000
PubChem CID:	126676744
Reduced:	BrON2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	336.02735
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	3.61
IP(EA), eV:	-9.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(3-fluorophenyl)methyl]-3-[1-(methylamino)ethenyl]pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=N1)Br)C(=O)NC

DOS

IR

Vibrations