Geometry & MOs

Info

ID:	208113
PubChem CID:	80496357
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	36.22
Dipole, Da:	5.27
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(2H-triazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC(=C1)N)C(=O)C2=NNN=C2

DOS

IR

Vibrations