Geometry & MOs

Info

ID:	153891
PubChem CID:	56313226
Reduced:	FO2N7H22C24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	452.13184
ΔH_f, kcal/mol:	46.97
Dipole, Da:	7.24
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations