Geometry & MOs

Info

ID:	71428
PubChem CID:	48414844
Reduced:	ClN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-6.0
Dipole, Da:	2.76
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-cyclopentylpropan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations