Geometry & MOs

Info

ID:	64871
PubChem CID:	29204130
Reduced:	FNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	5.26
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S)-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=CC3=C(S2)C=C(C=C3)F)C

DOS

IR

Vibrations