Geometry & MOs

Info

ID:	198949
PubChem CID:	79177353
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	283.98705
ΔH_f, kcal/mol:	-79.92
Dipole, Da:	1.76
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)sulfanyl-4-methylpent-4-en-2-one

Drug info:

PubChemData

Smile

CC(=C)CC(=O)C1COC2=CC=CC=C2O1

DOS

IR

Vibrations