Geometry & MOs

Info

ID:	60964
PubChem CID:	26703684
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	7.13
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

DOS

IR

Vibrations