Geometry & MOs

Info

ID:	64870
PubChem CID:	29204128
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	5.82
IP(EA), eV:	-8.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CN(C3=CC=CC=C32)C)C

DOS

IR

Vibrations