Geometry & MOs

Info

ID:	154332
PubChem CID:	56313748
Reduced:	ClFO3N4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	480.136446
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	6.38
IP(EA), eV:	-9.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations