Geometry & MOs

Info

ID:	71484
PubChem CID:	48414943
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	2.43
Dipole, Da:	5.75
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations