Geometry & MOs

Info

ID:	148568
PubChem CID:	53788236
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	282.081342
ΔH_f, kcal/mol:	24.75
Dipole, Da:	2.46
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzothiazol-1-ylidene-(2H-benzotriazol-5-yl)-methylazanium

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C2=CC=CC=C2OC

DOS

IR

Vibrations