Geometry & MOs

Info

ID:	288117
PubChem CID:	104311730
Reduced:	BrON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	30.09
Dipole, Da:	1.84
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CN=C1C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations