Geometry & MOs

Info

ID:	46211
PubChem CID:	10523222
Reduced:	ClO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	291.077894
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	6.0
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)/C=C(/C2=CC(=CC(=C2O)CC=C)Cl)\O

DOS

IR

Vibrations