Geometry & MOs

Info

ID:	391357
PubChem CID:	135004477
Reduced:	N2F3O3H31C32 (1)
Stoich.:	A2B3C3D31E32 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-233.67
Dipole, Da:	5.88
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-methoxy-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)NC(=O)OC(C)(C)C)NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations