Geometry & MOs

Info

ID:	288121
PubChem CID:	104311742
Reduced:	BrON3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	342.98196
ΔH_f, kcal/mol:	50.42
Dipole, Da:	6.74
IP(EA), eV:	-9.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations