Geometry & MOs

Info

ID:	55161
PubChem CID:	17389839
Reduced:	BrN5H6C9 (1)
Stoich.:	AB5C6D9 (1)
Weight, g/mol:	334.08481
ΔH_f, kcal/mol:	100.42
Dipole, Da:	4.78
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C3=C(N2)N=C(N=N3)N

DOS

IR

Vibrations