Geometry & MOs

Info

ID:	412420
PubChem CID:	135085311
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	235.996572
ΔH_f, kcal/mol:	-43.43
Dipole, Da:	3.11
IP(EA), eV:	-9.55(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-di(thiophen-3-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

CC1(C=CCC=C1)CC#CC(=O)OC(C)(C)C

DOS

IR

Vibrations