Geometry & MOs

Info

ID:	169131
PubChem CID:	75067877
Reduced:	ClF3N3O3C23H23 (1)
Stoich.:	AB3C3D3E23F23 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-214.87
Dipole, Da:	1.41
IP(EA), eV:	-9.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[6-[3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C=CC2=CC=CC(=N2)C=CC(=O)NO)C3=CC=CC=C3C(F)(F)F.Cl

DOS

IR

Vibrations