Geometry & MOs

Info

ID:	68648
PubChem CID:	46508831
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	486.12665
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	3.93
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenoxy)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations