Geometry & MOs

Info

ID:	370500
PubChem CID:	127339038
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	3.45
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C1CN(CCN1C(=O)CCC(=O)N2CC(=O)NC3=CC=CC=C32)C

DOS

IR

Vibrations