Geometry & MOs

Info

ID:	258962
PubChem CID:	103157561
Reduced:	BrO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	6.27
Dipole, Da:	2.76
IP(EA), eV:	-9.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)C2=CC(=CC=C2)Br)CN

DOS

IR

Vibrations