Geometry & MOs

Info

ID:	277919
PubChem CID:	103831905
Reduced:	ClOSN3C15H24 (1)
Stoich.:	ABCD3E15F24 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	2.0
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCN(CC1)CC2=CC=C(S2)Cl)N

DOS

IR

Vibrations