Geometry & MOs

Info

ID:	260794
PubChem CID:	103204587
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	239.028396
ΔH_f, kcal/mol:	83.25
Dipole, Da:	6.62
IP(EA), eV:	-7.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloropropylsulfanyl)-1,2,4-benzotriazine

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)N)OC2=NC3=CC=CC=C3N=N2

DOS

IR

Vibrations