Geometry & MOs

Info

ID:	288134
PubChem CID:	104311826
Reduced:	BrON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	30.74
Dipole, Da:	4.79
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-3-ethylpentan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)N)C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations