Geometry & MOs

Info

ID:	68072
PubChem CID:	46507711
Reduced:	O4N5H17C19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	3.92
IP(EA), eV:	-8.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=CC3=N2

DOS

IR

Vibrations