Geometry & MOs

Info

ID:	427360
PubChem CID:	135157636
Reduced:	OF3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	205.092521
ΔH_f, kcal/mol:	-248.48
Dipole, Da:	4.9
IP(EA), eV:	-10.43(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,2-dimethylpropyl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

C[C@H](CC1CC1CC(C)C)C2CCC(C2)(C(F)(F)F)O

DOS

IR

Vibrations