Geometry & MOs

Info

ID:	153592
PubChem CID:	56312850
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	434.175419
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	1.71
IP(EA), eV:	-8.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCC(CC2)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations