Geometry & MOs

Info

ID:	153594
PubChem CID:	56312852
Reduced:	FN4O4C26H33 (1)
Stoich.:	AB4C4D26E33 (1)
Weight, g/mol:	460.191069
ΔH_f, kcal/mol:	-161.39
Dipole, Da:	4.74
IP(EA), eV:	-8.83(-0.98)
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-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations