Geometry & MOs

Info

ID:	288135
PubChem CID:	104311838
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	338.96617
ΔH_f, kcal/mol:	-25.45
Dipole, Da:	3.8
IP(EA), eV:	-10.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)CC(=O)C1=C(C=CC=N1)Br

DOS

IR

Vibrations