Geometry & MOs

Info

ID:	153492
PubChem CID:	56312721
Reduced:	F3N3O3C17H26 (1)
Stoich.:	A3B3C3D17E26 (1)
Weight, g/mol:	411.232205
ΔH_f, kcal/mol:	-257.78
Dipole, Da:	4.18
IP(EA), eV:	-8.98(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations