Geometry & MOs

Info

ID:	23005
PubChem CID:	600755
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	14.22
Dipole, Da:	3.72
IP(EA), eV:	-8.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCC3

DOS

IR

Vibrations