Geometry & MOs

Info

ID:	136568
PubChem CID:	52065116
Reduced:	ClO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941785
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)NC(=O)C4=C(C=C(C=C4)Cl)OC

DOS

IR

Vibrations