Geometry & MOs

Info

ID:	143047
PubChem CID:	53139214
Reduced:	O3N4H10C15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	21.31
Dipole, Da:	5.24
IP(EA), eV:	-9.19(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=NOC(=N3)C4=CN=CC=C4)OC1=O

DOS

IR

Vibrations