Geometry & MOs

Info

ID:	277979
PubChem CID:	103832374
Reduced:	ClFON3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	3.08
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=NC(=NO1)C2=C(C=C(C=C2)F)Cl)N

DOS

IR

Vibrations