Geometry & MOs

Info

ID:	370421
PubChem CID:	127338633
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	7.8
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)N3CCCCC3C4=NOC=N4

DOS

IR

Vibrations