Geometry & MOs

Info

ID:	157130
PubChem CID:	56422169
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	1.35
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations