Geometry & MOs

Info

ID:	69031
PubChem CID:	46515935
Reduced:	ClON3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	428.253589
ΔH_f, kcal/mol:	34.36
Dipole, Da:	2.39
IP(EA), eV:	-8.55(-0.57)
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-(2-methylpropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations