Geometry & MOs

Info

ID:	236430
PubChem CID:	92712870
Reduced:	BrN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	355.116821
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	3.34
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[(4-methylphenoxy)methyl]-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C)C2=NN([C@@H](O2)C3=CC(=CN=C3)Br)C(=O)C

DOS

IR

Vibrations