Geometry & MOs

Info

ID:	208992
PubChem CID:	80609903
Reduced:	NC17H33 (1)
Stoich.:	AB17C33 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	1.74
IP(EA), eV:	-8.66(3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclooctyl-6,7-dihydro-5H-1,3-benzothiazol-4-one

Drug info:

PubChemData

Smile

CCCNC(CC1CCC1)C2CCCCCCC2

DOS

IR

Vibrations