Geometry & MOs

Info

ID:	345251
PubChem CID:	127269315
Reduced:	ClON2C7H7 (2)
Stoich.:	ABC2D7E7 (2)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	6.11
IP(EA), eV:	-9.44(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(2-oxopiperidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)CC2=CN3C=C(C=C(C3=N2)Cl)Cl

DOS

IR

Vibrations