Geometry & MOs

Info

ID:	153757
PubChem CID:	56313068
Reduced:	F3N3O3C22H26 (1)
Stoich.:	A3B3C3D22E26 (1)
Weight, g/mol:	477.169999
ΔH_f, kcal/mol:	-229.09
Dipole, Da:	6.24
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=N3)OCC(F)(F)F

DOS

IR

Vibrations