Geometry & MOs

Info

ID:	145837
PubChem CID:	53600797
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-2.49
Dipole, Da:	7.07
IP(EA), eV:	-9.01(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOCCN1CCN(CC1C)CC(CCC#N)C#N

DOS

IR

Vibrations