Geometry & MOs

Info

ID:	73848
PubChem CID:	48420692
Reduced:	N4O4H14C17 (1)
Stoich.:	A4B4C14D17 (1)
Weight, g/mol:	417.14887
ΔH_f, kcal/mol:	27.82
Dipole, Da:	4.72
IP(EA), eV:	-9.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CN3C=CC(=N3)[N+](=O)[O-]

DOS

IR

Vibrations