Geometry & MOs

Info

ID:	278033
PubChem CID:	103832871
Reduced:	OF2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	5.75
IP(EA), eV:	-9.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations