Geometry & MOs

Info

ID:	153799
PubChem CID:	56313112
Reduced:	FO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	449.175084
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	5.44
IP(EA), eV:	-8.68(-1.13)
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-(furan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations