Geometry & MOs

Info

ID:	38875
PubChem CID:	8138093
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	370.132885
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	6.18
IP(EA), eV:	-9.62(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations