Geometry & MOs

Info

ID:	169134
PubChem CID:	75067880
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	481.138004
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	2.13
IP(EA), eV:	-9.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[6-[3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]pyridin-2-yl]prop-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations