Geometry & MOs

Info

ID:	154539
PubChem CID:	56313996
Reduced:	Cl2N2F3O3H17C18 (1)
Stoich.:	A2B2C3D3E17F18 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-255.3
Dipole, Da:	2.12
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C(=C2)Cl)N)Cl)OCC(F)(F)F

DOS

IR

Vibrations