Geometry & MOs

Info

ID:	271876
PubChem CID:	103695339
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	2.05
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylsulfanylpropyl)-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CCSCCCN1C=NC2=CC=CC=C2C1=O

DOS

IR

Vibrations