Geometry & MOs

Info

ID:	288147
PubChem CID:	104311937
Reduced:	NBr2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	348.94999
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	4.31
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)heptan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations