Geometry & MOs

Info

ID:	360125
PubChem CID:	127300578
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	2.91
IP(EA), eV:	-10.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-1-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC2=NC(=NO2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations