Geometry & MOs

Info

ID:	121953
PubChem CID:	50787708
Reduced:	BrO3N6H19C21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	436.165917
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	5.18
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-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=C5)Br

DOS

IR

Vibrations