Geometry & MOs

Info

ID:	287608
PubChem CID:	104248639
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	1.4
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCC2=NC(=NO2)CC(C)OC

DOS

IR

Vibrations