Geometry & MOs

Info

ID:	258991
PubChem CID:	103157813
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	259.099063
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	1.06
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C2=NOC(=N2)CC(CN)OC

DOS

IR

Vibrations