Geometry & MOs

Info

ID:	359415
PubChem CID:	127298552
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	4.8
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations