Geometry & MOs

Info

ID:	407674
PubChem CID:	135080425
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	2.96
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2-phenylethynyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1(C2C(O2)C3=C(O1)C=CC(=C3)CO)C

DOS

IR

Vibrations