Geometry & MOs

Info

ID:	68904
PubChem CID:	46511514
Reduced:	ClFN2O5H14C19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	351.101919
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	7.06
IP(EA), eV:	-9.4(-1.12)
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 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C(=C3)Cl)OCCO4)F

DOS

IR

Vibrations