Geometry & MOs

Info

ID:	277980
PubChem CID:	103832407
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	3.32
IP(EA), eV:	-9.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC(=NO1)C23CC4CC(C2)CC(C4)C3)N

DOS

IR

Vibrations