Geometry & MOs

Info

ID:	153406
PubChem CID:	56312597
Reduced:	N2F3O3C23H29 (1)
Stoich.:	A2B3C3D23E29 (1)
Weight, g/mol:	466.238019
ΔH_f, kcal/mol:	-250.04
Dipole, Da:	3.41
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC(CC1=CC=CC=C1)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations