Geometry & MOs

Info

ID:	258954
PubChem CID:	103157533
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	3.37
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)CC2=CC=C(C=C2)O)CN

DOS

IR

Vibrations