Geometry & MOs

Info

ID:	128931
PubChem CID:	51063765
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	281.964
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	3.88
IP(EA), eV:	-9.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN1CCOC2=CC=CC(=N2)C(=O)O

DOS

IR

Vibrations