Geometry & MOs

Info

ID:	278030
PubChem CID:	103832856
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	20.48
Dipole, Da:	3.79
IP(EA), eV:	-9.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC(=NO1)CCC2=CC=CC=C2)N

DOS

IR

Vibrations