Geometry & MOs

Info

ID:	121758
PubChem CID:	50780444
Reduced:	BrO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	39.94
Dipole, Da:	2.58
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=NO2)C3=CC=C(C=C3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)Br

DOS

IR

Vibrations