Geometry & MOs

Info

ID:	306271
PubChem CID:	125003441
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	20.94
Dipole, Da:	4.94
IP(EA), eV:	-8.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-1-acetylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)[C@H]2CCCN(C2)C(=O)C3=CN=CS3

DOS

IR

Vibrations