Geometry & MOs

Info

ID:	153466
PubChem CID:	56312683
Reduced:	N2F3O4C24H33 (1)
Stoich.:	A2B3C4D24E33 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-330.88
Dipole, Da:	7.57
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3)OCC(F)(F)F

DOS

IR

Vibrations