Geometry & MOs

Info

ID:	35961
PubChem CID:	7980558
Reduced:	FINOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	375.085521
ΔH_f, kcal/mol:	-30.04
Dipole, Da:	4.39
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations