Geometry & MOs

Info

ID:	204412
PubChem CID:	79961394
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	7.82
IP(EA), eV:	-9.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCC1(C(=NC(=O)N1C2CC2)N)CC

DOS

IR

Vibrations