Geometry & MOs

Info

ID:	288129
PubChem CID:	104311793
Reduced:	BrClNOSH7C11 (1)
Stoich.:	ABCDEF7G11 (1)
Weight, g/mol:	275.98983
ΔH_f, kcal/mol:	28.63
Dipole, Da:	4.92
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(6-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=O)CC2=CC=C(S2)Cl)Br

DOS

IR

Vibrations