Geometry & MOs

Info

ID:	45424
PubChem CID:	10513095
Reduced:	OF4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-218.68
Dipole, Da:	2.71
IP(EA), eV:	-10.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S,4R)-3-hydroxy-4-methyl-6-phenylhex-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)F)/C=C/CO

DOS

IR

Vibrations