Geometry & MOs

Info

ID:	349396
PubChem CID:	127275183
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	3.51
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3CCCCC3C(=O)N4CCOCC4

DOS

IR

Vibrations