Geometry & MOs

Info

ID:	154331
PubChem CID:	56313747
Reduced:	OF3N6H19C21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	480.136446
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	5.49
IP(EA), eV:	-8.96(-1.06)
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-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCC2=CN=C(C=C2)N3C=NC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations