Geometry & MOs

Info

ID:	441854
PubChem CID:	135245987
Reduced:	O2F5N5H26C30 (1)
Stoich.:	A2B5C5D26E30 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	8.29
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbut-1-en-1-amine

Drug info:

PubChemData

Smile

CCC(/C=C\CCOC1=CC=C(C=C1)C#CC2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)F

DOS

IR

Vibrations