Geometry & MOs

Info

ID:	238805
PubChem CID:	93165533
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-20.54
Dipole, Da:	3.24
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2R)-2-methylpiperidin-1-yl]-1-piperazin-1-yl-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)[C@@H](C2=CC=CS2)C(=O)N3CCNCC3

DOS

IR

Vibrations