Geometry & MOs

Info

ID:	154928
PubChem CID:	56314478
Reduced:	N2F3O5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	430.13044
ΔH_f, kcal/mol:	-320.77
Dipole, Da:	2.63
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2CCN(CC2)C(=O)C3=COC=C3)OCC(F)(F)F

DOS

IR

Vibrations