Geometry & MOs

Info

ID:	68903
PubChem CID:	46511478
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	404.057527
ΔH_f, kcal/mol:	-196.78
Dipole, Da:	2.11
IP(EA), eV:	-9.4(-0.81)
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 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations