Geometry & MOs

Info

ID:	409526
PubChem CID:	135082308
Reduced:	SO2H28C30 (1)
Stoich.:	AB2C28D30 (1)
Weight, g/mol:	202.096694
ΔH_f, kcal/mol:	82.06
Dipole, Da:	3.7
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethylimidazo[4,5-f]benzotriazol-3-amine

Drug info:

PubChemData

Smile

COC(=O)/C=C/CCC(C#CC#C/C=C/C/C=C/C=C/C1=CC=CC=C1)SC2=CC=CC=C2

DOS

IR

Vibrations