Geometry & MOs

Info

ID:	153566
PubChem CID:	56312815
Reduced:	NF3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	430.13044
ΔH_f, kcal/mol:	-283.12
Dipole, Da:	3.35
IP(EA), eV:	-8.73(-0.1)
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-(trifluoromethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations