Geometry & MOs

Info

ID:	154177
PubChem CID:	56313580
Reduced:	FO2N3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	460.179835
ΔH_f, kcal/mol:	-4.64
Dipole, Da:	1.83
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=CC=CC=C23)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations