Geometry & MOs

Info

ID:	68652
PubChem CID:	46508840
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	5.77
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(phenylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)NC(=O)N

DOS

IR

Vibrations