Geometry & MOs

Info

ID:	288128
PubChem CID:	104311790
Reduced:	BrNOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	314.91203
ΔH_f, kcal/mol:	14.96
Dipole, Da:	4.43
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations