Geometry & MOs

Info

ID:	194165
PubChem CID:	78492902
Reduced:	SO4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	288.127406
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	5.69
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(4-fluorophenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

DOS

IR

Vibrations