Geometry & MOs

Info

ID:	236371
PubChem CID:	92712546
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	1.69
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[4-(dimethylamino)phenyl]-5-[(4-methylphenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)COC2=CC=CC=C2OC)C3=CC=CC=C3

DOS

IR

Vibrations