Geometry & MOs

Info

ID:	136940
PubChem CID:	52126152
Reduced:	N4O4C26H33 (1)
Stoich.:	A4B4C26D33 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	10.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069413
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN=C(O2)C[NH+]3CCC(CC3)C(=O)NCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations