Geometry & MOs

Info

ID:	407238
PubChem CID:	135079630
Reduced:	BF2N2O2C19H24 (1)
Stoich.:	AB2C2D2E19F24 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-262.19
Dipole, Da:	9.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909353
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-dec-2-enoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

[B-]1(OC(=C/C(=C/2\C(=C(C=N2)CC)CC)/O1)C3=C(C(=CN3)CC)CC)(F)F

DOS

IR

Vibrations