Geometry & MOs

Info

ID:	288131
PubChem CID:	104311799
Reduced:	BrNOH4C8 (1)
Stoich.:	ABCD4E8 (1)
Weight, g/mol:	303.02588
ΔH_f, kcal/mol:	69.76
Dipole, Da:	4.42
IP(EA), eV:	-10.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(2,6-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations