Geometry & MOs

Info

ID:	201544
PubChem CID:	79553483
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	301.171165
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	3.49
IP(EA), eV:	-9.26(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylpropylsulfonyl)piperidin-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCNC(=O)N1CCCCC1C2CCCCC2=O

DOS

IR

Vibrations