Geometry & MOs

Info

ID:	136941
PubChem CID:	52126623
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	335.163864
ΔH_f, kcal/mol:	2.78
Dipole, Da:	3.55
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(4-butylpiperazin-4-ium-1-yl)methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations