Geometry & MOs

Info

ID:	360127
PubChem CID:	127300580
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	2.38
IP(EA), eV:	-9.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(CC1)C2=NC(=NO2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations