Geometry & MOs

Info

ID:	386630
PubChem CID:	134982404
Reduced:	O2C11H17 (2)
Stoich.:	A2B11C17 (2)
Weight, g/mol:	190.045236
ΔH_f, kcal/mol:	-178.1
Dipole, Da:	2.21
IP(EA), eV:	-9.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-phenyl-2H-thiophen-5-one

Drug info:

PubChemData

Smile

CCOC(/C=C\CCCCCCCCOC(=O)C1=CC=CC=C1)OCC

DOS

IR

Vibrations