Geometry & MOs

Info

ID:	310547
PubChem CID:	126581936
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	6.79
IP(EA), eV:	-9.2(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid

Drug info:

PubChemData

Smile

C/C(=C/C(=NC)CO)/OC

DOS

IR

Vibrations