Geometry & MOs

Info

ID:	153968
PubChem CID:	56313325
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	5.02
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,5-dimethylpiperidin-1-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NNC(=O)C2=CC3=C(S2)CCCCCC3

DOS

IR

Vibrations