Geometry & MOs

Info

ID:	182211
PubChem CID:	76861498
Reduced:	ClF3O3N4C15H16 (1)
Stoich.:	AB3C3D4E15F16 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-185.11
Dipole, Da:	8.38
IP(EA), eV:	-9.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2C(CC1[N+](=O)[O-])C(NN2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations