Geometry & MOs

Info

ID:	291709
PubChem CID:	113460190
Reduced:	BrOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	2.2
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations