Geometry & MOs

Info

ID:	259001
PubChem CID:	103157894
Reduced:	ClFO2N3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	201.074956
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	2.65
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazole-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations