Geometry & MOs

Info

ID:	299115
PubChem CID:	117671482
Reduced:	N2F3O3H15C16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	3.36
IP(EA), eV:	-10.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(2-phenylethyl)hex-5-enoic acid

Drug info:

PubChemData

Smile

C#CC[C@H]([C@@H](CCC1=CC=C(C=C1)C2(N=N2)C(F)(F)F)O)C(=O)O

DOS

IR

Vibrations