Geometry & MOs

Info

ID:	238806
PubChem CID:	93165535
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-19.58
Dipole, Da:	3.36
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1[C@@H](C2=CC=CS2)C(=O)N3CCNCC3

DOS

IR

Vibrations