Geometry & MOs

Info

ID:	345648
PubChem CID:	127269948
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	7.02
IP(EA), eV:	-9.34(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=NOC3=O)C4=NC=CN=C4

DOS

IR

Vibrations