Geometry & MOs

Info

ID:	291633
PubChem CID:	113454397
Reduced:	BrN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	303.02588
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	7.64
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C2=NC(=O)C(=C(N2)COC)Br

DOS

IR

Vibrations