Geometry & MOs

Info

ID:	132432
PubChem CID:	51361934
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	10.88
Dipole, Da:	4.14
IP(EA), eV:	-8.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CN1C(=CN2C1=NC(=C2)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations