Geometry & MOs

Info

ID:	154095
PubChem CID:	56313483
Reduced:	FSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	5.88
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)CCCNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F

DOS

IR

Vibrations