Geometry & MOs

Info

ID:	68900
PubChem CID:	46511450
Reduced:	FOSN6H19C24 (1)
Stoich.:	ABCD6E19F24 (1)
Weight, g/mol:	412.14345
ΔH_f, kcal/mol:	107.33
Dipole, Da:	4.01
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4C)C5=CN=CC=C5)F

DOS

IR

Vibrations