Geometry & MOs

Info

ID:	71702
PubChem CID:	48415235
Reduced:	FO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	1.83
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations