Geometry & MOs

Info

ID:	129565
PubChem CID:	51073116
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	17.68
Dipole, Da:	6.71
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azocan-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NC3=NCCS3

DOS

IR

Vibrations