Geometry & MOs

Info

ID:	288122
PubChem CID:	104311754
Reduced:	BrNOF3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	303.02588
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	5.2
IP(EA), eV:	-9.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(3,5-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations