Geometry & MOs

Info

ID:	154725
PubChem CID:	56314239
Reduced:	OF3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	417.185255
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	4.33
IP(EA), eV:	-8.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCCC2=CC=C(C=C2)N(C)C)C(F)(F)F

DOS

IR

Vibrations