Geometry & MOs

Info

ID:	360124
PubChem CID:	127300577
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-63.77
Dipole, Da:	6.32
IP(EA), eV:	-9.31(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)C=CC2=NC(=NO2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations