Geometry & MOs

Info

ID:	153984
PubChem CID:	56313342
Reduced:	FN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	463.170748
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	6.98
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations