Geometry & MOs

Info

ID:	278034
PubChem CID:	103832880
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	4.88
IP(EA), eV:	-9.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations