Geometry & MOs

Info

ID:	121951
PubChem CID:	50787706
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	482.0702
ΔH_f, kcal/mol:	-12.39
Dipole, Da:	7.73
IP(EA), eV:	-8.56(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)N5CCCC5

DOS

IR

Vibrations