Geometry & MOs

Info

ID:	402414
PubChem CID:	135055889
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	228.035335
ΔH_f, kcal/mol:	-130.78
Dipole, Da:	5.48
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-chloro-2-fluorophenyl)-hydroxymethyl]but-3-en-2-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)OC)O)C(=O)C(C)(C)C

DOS

IR

Vibrations