Geometry & MOs

Info

ID:	30008
PubChem CID:	838873
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	330.007516
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	2.64
IP(EA), eV:	-8.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations