Geometry & MOs

Info

ID:	260791
PubChem CID:	103204501
Reduced:	OSN4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	55.48
Dipole, Da:	3.97
IP(EA), eV:	-8.51(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylsulfanylpropan-2-yl)-1,2,4-benzotriazin-3-amine

Drug info:

PubChemData

Smile

CS(=O)CCNC1=NC2=CC=CC=C2N=N1

DOS

IR

Vibrations