Geometry & MOs

Info

ID:	191911
PubChem CID:	78200146
Reduced:	ClNO3H8C14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	269.93885
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	3.07
IP(EA), eV:	-9.54(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-6-nitro-8H-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1=CC(C2=NC3=C(C=C(C=C3)Cl)C(=O)C2=C1)C(=O)O

DOS

IR

Vibrations