Geometry & MOs

Info

ID:	352503
PubChem CID:	127283591
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	285.139865
ΔH_f, kcal/mol:	15.74
Dipole, Da:	3.56
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfonyl-1-(4-methylidenepiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4CCC(=C)CC4)C(C)(C)C

DOS

IR

Vibrations