Geometry & MOs

Info

ID:	153383
PubChem CID:	56312571
Reduced:	O2F3N4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	441.24277
ΔH_f, kcal/mol:	-233.26
Dipole, Da:	1.81
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C(=O)CC3CCCC3)C(F)(F)F

DOS

IR

Vibrations