Geometry & MOs

Info

ID:	208160
PubChem CID:	80501732
Reduced:	BrO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	6.44
IP(EA), eV:	-8.92(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-bromo-1-(2-pyridin-3-ylethyl)pyridin-2-one

Drug info:

PubChemData

Smile

C1=C(C(=O)N(C=C1N)CC(=O)NCC#N)Br

DOS

IR

Vibrations