Geometry & MOs

Info

ID:	211511
PubChem CID:	81044201
Reduced:	FON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	284.192235
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	6.0
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylthiomorpholin-4-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N(C)C1=CC(=CC=C1)F)C2CCCNC2

DOS

IR

Vibrations