Geometry & MOs

Info

ID:	367619
PubChem CID:	127325109
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	32.25
Dipole, Da:	5.72
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations