Geometry & MOs

Info

ID:	153969
PubChem CID:	56313326
Reduced:	FN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	439.190734
ΔH_f, kcal/mol:	-67.45
Dipole, Da:	2.92
IP(EA), eV:	-9.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C

DOS

IR

Vibrations