Geometry & MOs

Info

ID:	128932
PubChem CID:	51063810
Reduced:	BrN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	281.964
ΔH_f, kcal/mol:	-33.18
Dipole, Da:	6.27
IP(EA), eV:	-9.49(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NOC(=N2)C(=O)O)Br

DOS

IR

Vibrations