Geometry & MOs

Info

ID:	128933
PubChem CID:	51063811
Reduced:	BrN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	234.064057
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	4.04
IP(EA), eV:	-9.83(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NOC(=N2)C(=O)O)Br

DOS

IR

Vibrations