Geometry & MOs

Info

ID:	153582
PubChem CID:	56312835
Reduced:	OF3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	485.175084
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	3.15
IP(EA), eV:	-9.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCC2=CC(=CC=C2)CN3C=CN=C3)C(F)(F)F

DOS

IR

Vibrations