Geometry & MOs

Info

ID:	154075
PubChem CID:	56313462
Reduced:	N2O2F4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-231.29
Dipole, Da:	3.03
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(5-morpholin-4-ylpyridin-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations