Geometry & MOs

Info

ID:	136554
PubChem CID:	52062182
Reduced:	N4O4C24H31 (1)
Stoich.:	A4B4C24D31 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	6.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.953708
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C[NH+]3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations