Geometry & MOs

Info

ID:	444776
PubChem CID:	135263532
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	144.053492
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	4.82
IP(EA), eV:	-9.77(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxadiazole;propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)C[C@@]2(C=C(C(=O)C([C@H]2O1)(C)C)C#N)C

DOS

IR

Vibrations