Geometry & MOs

Info

ID:	291634
PubChem CID:	113454448
Reduced:	BrNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	317.04153
ΔH_f, kcal/mol:	5.39
Dipole, Da:	1.12
IP(EA), eV:	-9.03(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-3-(3,4-dimethylphenyl)propan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)CC2=NC=C(C=C2)Br

DOS

IR

Vibrations