Geometry & MOs

Info

ID:	344622
PubChem CID:	127268207
Reduced:	OSN6C16H20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	386.188881
ΔH_f, kcal/mol:	44.85
Dipole, Da:	5.65
IP(EA), eV:	-8.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyridazin-3-ylpiperazin-1-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations