Geometry & MOs

Info

ID:	153800
PubChem CID:	56313113
Reduced:	FN3O4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	460.191069
ΔH_f, kcal/mol:	-104.73
Dipole, Da:	3.82
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=CO2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations