Geometry & MOs

Info

ID:	249622
PubChem CID:	103090918
Reduced:	BrO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	216.060886
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	1.1
IP(EA), eV:	-9.02(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-benzothiophen-3-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C/C1=C(C=CC(=C1)Br)OC)/C(=O)C

DOS

IR

Vibrations