Geometry & MOs

Info

ID:	212126
PubChem CID:	81059559
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	7.86
IP(EA), eV:	-8.32(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2-ethoxyethyl)-5-N,2-dimethyl-1,3-benzothiazole-5,6-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=CC(=C(C=C1)C#N)N

DOS

IR

Vibrations