Geometry & MOs

Info

ID:	154844
PubChem CID:	56314386
Reduced:	F3O3N4C23H29 (1)
Stoich.:	A3B3C4D23E29 (1)
Weight, g/mol:	416.228677
ΔH_f, kcal/mol:	-229.53
Dipole, Da:	5.18
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations