Geometry & MOs

Info

ID:	283161
PubChem CID:	103961925
Reduced:	BrON3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	387.9245
ΔH_f, kcal/mol:	30.64
Dipole, Da:	5.74
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CN1CC#N)Br)N

DOS

IR

Vibrations