Geometry & MOs

Info

ID:	153667
PubChem CID:	56312957
Reduced:	O2F3N4C22H29 (1)
Stoich.:	A2B3C4D22E29 (1)
Weight, g/mol:	488.185983
ΔH_f, kcal/mol:	-205.41
Dipole, Da:	4.7
IP(EA), eV:	-8.92(-0.53)
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]benzoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=C(C=C2)CNC(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F

DOS

IR

Vibrations