Geometry & MOs

Info

ID:	278008
PubChem CID:	103832661
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	199.132077
ΔH_f, kcal/mol:	5.49
Dipole, Da:	2.54
IP(EA), eV:	-9.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NOC(=N1)[C@H](C2=CC=CC=C2)N)OC

DOS

IR

Vibrations