Geometry & MOs

Info

ID:	388711
PubChem CID:	134989979
Reduced:	ClOH3N4C6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	26.28
Dipole, Da:	1.52
IP(EA), eV:	-10.15(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-3-methyl-4-oxido-5,6,7,8-tetrahydro-1,2,4-benzotriazin-4-ium

Drug info:

PubChemData

Smile

C1=C2C(=NC=N1)NC(=O)C(=N2)Cl

DOS

IR

Vibrations