Geometry & MOs

Info

ID:	260800
PubChem CID:	103204864
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	254.062618
ΔH_f, kcal/mol:	30.58
Dipole, Da:	2.26
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-benzotriazin-3-ylsulfanyl)aniline

Drug info:

PubChemData

Smile

CC(CO)N(C)C1=NC2=CC=CC=C2N=N1

DOS

IR

Vibrations