Geometry & MOs

Info

ID:	240300
PubChem CID:	93576852
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	5.9
IP(EA), eV:	-8.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminothiophen-2-yl)-[(2R)-2-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@@H](C)N(C)C(=O)C1=CC(=C(S1)C)N

DOS

IR

Vibrations