Geometry & MOs

Info

ID:	153776
PubChem CID:	56313087
Reduced:	FO2N4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	451.22712
ΔH_f, kcal/mol:	-9.44
Dipole, Da:	3.39
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations