Geometry & MOs

Info

ID:	393990
PubChem CID:	135022132
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	225.985528
ΔH_f, kcal/mol:	-106.05
Dipole, Da:	3.29
IP(EA), eV:	-8.86(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chlorothiophen-2-yl)-6-methylpyran-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC2C3(O2)CCCCC3)OC

DOS

IR

Vibrations