Geometry & MOs

Info

ID:	154294
PubChem CID:	56313707
Reduced:	N2F3O3C25H31 (1)
Stoich.:	A2B3C3D25E31 (1)
Weight, g/mol:	439.190734
ΔH_f, kcal/mol:	-257.3
Dipole, Da:	6.53
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)CN3CCCCC3)OCC(F)(F)F

DOS

IR

Vibrations