Geometry & MOs

Info

ID:	153412
PubChem CID:	56312605
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	-154.27
Dipole, Da:	1.98
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC(=NN2)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations