Geometry & MOs

Info

ID:	288112
PubChem CID:	104311565
Reduced:	BrNOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	360.85946
ΔH_f, kcal/mol:	46.47
Dipole, Da:	1.79
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-2-(3-bromothiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)CC(=O)C3=NC=C(C=C3)Br

DOS

IR

Vibrations