Geometry & MOs

Info

ID:	402751
PubChem CID:	135057134
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	208.053572
ΔH_f, kcal/mol:	0.45
Dipole, Da:	5.16
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCN1C(=C2C=C(C=CC2=N1)Cl)OC

DOS

IR

Vibrations