Geometry & MOs

Info

ID:	201394
PubChem CID:	79533127
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	298.01393
ΔH_f, kcal/mol:	18.65
Dipole, Da:	2.86
IP(EA), eV:	-8.78(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(3-methylbutyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CC(CCC1CN)CNC2CC2C3=CC=CC=C3

DOS

IR

Vibrations