Geometry & MOs

Info

ID:	68666
PubChem CID:	46508865
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	483.12699
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	5.96
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(=O)NC(=O)NC4CCCC4

DOS

IR

Vibrations