Geometry & MOs

Info

ID:	55160
PubChem CID:	17389838
Reduced:	NO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	262.98066
ΔH_f, kcal/mol:	-55.51
Dipole, Da:	5.0
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)N2C=CC=C2C=O

DOS

IR

Vibrations