Geometry & MOs

Info

ID:	353100
PubChem CID:	127284280
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	396.188292
ΔH_f, kcal/mol:	-149.77
Dipole, Da:	6.32
IP(EA), eV:	-8.7(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfonyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)C3CC(=O)N(C3)CCN4CCOCC4

DOS

IR

Vibrations