Geometry & MOs

Info

ID:	277998
PubChem CID:	103832557
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	3.01
IP(EA), eV:	-9.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

Drug info:

PubChemData

Smile

COCCCC1=NOC(=N1)[C@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations