Geometry & MOs

Info

ID:	153671
PubChem CID:	56312961
Reduced:	OF3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	446.211804
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	5.12
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F

DOS

IR

Vibrations