Geometry & MOs

Info

ID:	336843
PubChem CID:	127255850
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	230.069142
ΔH_f, kcal/mol:	-103.54
Dipole, Da:	6.13
IP(EA), eV:	-9.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylprop-2-enoic acid

Drug info:

PubChemData

Smile

CN1C(CC(=O)O1)(C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations