Geometry & MOs

Info

ID:	248669
PubChem CID:	103083482
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	352.00587
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	4.58
IP(EA), eV:	-9.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CC(C)CC(=O)O

DOS

IR

Vibrations