Geometry & MOs

Info

ID:	154073
PubChem CID:	56313460
Reduced:	FN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	404.164854
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	3.47
IP(EA), eV:	-9.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(6-pyrrolidin-1-ylpyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations