Geometry & MOs

Info

ID:	136556
PubChem CID:	52062278
Reduced:	OF2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021521
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations