Geometry & MOs

Info

ID:	138431
PubChem CID:	52366471
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	3.97
IP(EA), eV:	-8.93(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)N1CCN(CC1)C(=O)C(C)C

DOS

IR

Vibrations