Geometry & MOs

Info

ID:	154114
PubChem CID:	56313503
Reduced:	N2F3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-292.59
Dipole, Da:	5.74
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations