Geometry & MOs

Info

ID:	352517
PubChem CID:	127283605
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	5.31
IP(EA), eV:	-9.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations