Geometry & MOs

Info

ID:	84807
PubChem CID:	49870020
Reduced:	F3N3O4C13H18 (1)
Stoich.:	A3B3C4D13E18 (1)
Weight, g/mol:	255.027391
ΔH_f, kcal/mol:	-304.36
Dipole, Da:	4.99
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-hydroxy-1,2-dimethyl-6-(2,2,2-trifluoroethyl)pyridin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC)NCC1=CC(=O)C(=C(N1C)C(C(F)(F)F)O)O

DOS

IR

Vibrations