Geometry & MOs

Info

ID:	60981
PubChem CID:	26703870
Reduced:	ClFON3C19H21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	423.207053
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	3.32
IP(EA), eV:	-7.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations