Geometry & MOs

Info

ID:	153600
PubChem CID:	56312860
Reduced:	O2F3N5C24H26 (1)
Stoich.:	A2B3C5D24E26 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	3.94
IP(EA), eV:	-9.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations