Geometry & MOs

Info

ID:	184228
PubChem CID:	77130611
Reduced:	NOF3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	3.91
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-amino-2-hydroxyethyl)phenoxy]-2-hydroxyhex-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C(F)(F)F)C(CO)N

DOS

IR

Vibrations