Geometry & MOs

Info

ID:	264392
PubChem CID:	103458793
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	208.092186
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	2.33
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(5-methylthiophen-2-yl)pent-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1=C(C=NN1CC)Br)CC

DOS

IR

Vibrations