Geometry & MOs

Info

ID:	71301
PubChem CID:	48414591
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-5.36
Dipole, Da:	4.81
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCCC4=N3

DOS

IR

Vibrations