Geometry & MOs

Info

ID:	130041
PubChem CID:	51074724
Reduced:	FOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

C1CSC(=N1)NC(=O)C2CC2C3=CC=C(C=C3)F

DOS

IR

Vibrations