Geometry & MOs

Info

ID:	208520
PubChem CID:	80539889
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	235.11209
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	1.39
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN)C1=NC(=NO1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations