Geometry & MOs

Info

ID:	154430
PubChem CID:	56313865
Reduced:	ClO2F3N3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-168.76
Dipole, Da:	4.28
IP(EA), eV:	-8.46(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3Cl)C(F)(F)F

DOS

IR

Vibrations