Geometry & MOs

Info

ID:	142474
PubChem CID:	53041815
Reduced:	ClO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	28.01
Dipole, Da:	1.54
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=NO2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations