Geometry & MOs

Info

ID:	121952
PubChem CID:	50787707
Reduced:	BrO3N6H19C21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	482.0702
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	2.21
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=CC=CC=C3N4C2=NN(C4=O)CC(=O)NC5=CC=CC=C5Br

DOS

IR

Vibrations