Geometry & MOs

Info

ID:	357868
PubChem CID:	127295368
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-28.24
Dipole, Da:	5.0
IP(EA), eV:	-8.39(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C3=CC(=NC=N3)N4CCCC(C4)CO

DOS

IR

Vibrations