Geometry & MOs

Info

ID:	249616
PubChem CID:	103090860
Reduced:	ClNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	243.95575
ΔH_f, kcal/mol:	-6.5
Dipole, Da:	5.37
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-bromothiophen-2-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CNC2=C1C=CC(=C2)Cl)/C(=O)C

DOS

IR

Vibrations