Geometry & MOs

Info

ID:	71489
PubChem CID:	48414951
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	6.91
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-phenylpentan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations