Geometry & MOs

Info

ID:

176371

PubChem CID:

76039295

Reduced:

OSN2C9H15 (1)

Stoich.:

ABC2D9E15 (1)

Weight, g/mol:

195.071785

ΔHf, kcal/mol:

-25.89

Dipole, Da:

5.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.802588

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-methylthiophen-2-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CCCC[NH+]1C(=O)C=C(NC1=S)C

DOS

IR

Vibrations