Geometry & MOs

Info

ID:	141857
PubChem CID:	52939700
Reduced:	OF3N5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	348.133474
ΔH_f, kcal/mol:	-85.02
Dipole, Da:	4.73
IP(EA), eV:	-8.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-amino-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)N)C(F)(F)F

DOS

IR

Vibrations