Geometry & MOs

Info

ID:	277918
PubChem CID:	103831900
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	329.132861
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	1.87
IP(EA), eV:	-9.03(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1CCN(C1)CC2=CC=CC=C2)N

DOS

IR

Vibrations