Geometry & MOs

Info

ID:	394874
PubChem CID:	135024015
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	233.066363
ΔH_f, kcal/mol:	-99.5
Dipole, Da:	2.98
IP(EA), eV:	-9.38(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5,5,5-trifluoro-4-hydroxy-4-pyridin-2-ylpentan-2-one

Drug info:

PubChemData

Smile

[3H]CC1=CC(=CC=C1)/C=C(/C(=O)OCC)\N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations