Geometry & MOs

Info

ID:	71222
PubChem CID:	48414475
Reduced:	F2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	6.11
IP(EA), eV:	-8.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC=C(O2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations