Geometry & MOs

Info

ID:	71612
PubChem CID:	48415111
Reduced:	FON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	3.69
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations