Geometry & MOs

Info

ID:	153287
PubChem CID:	56312464
Reduced:	NO4F6C17H21 (1)
Stoich.:	AB4C6D17E21 (1)
Weight, g/mol:	398.200571
ΔH_f, kcal/mol:	-477.8
Dipole, Da:	5.36
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(COCC(F)(F)F)NC(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC

DOS

IR

Vibrations