Geometry & MOs

Info

ID:	134402
PubChem CID:	51691764
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	454.187915
ΔH_f, kcal/mol:	26.54
Dipole, Da:	18.82
IP(EA), eV:	-4.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(3,5-dimethylphenoxy)-1-oxo-3H-[1,2,4]triazolo[4,3-a]quinoxalin-10-ium-2-yl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1C[C@H]([NH+](C1)C2CCOCC2)C3=NC(=NO3)C4=C[NH+]=C(C=C4)N5CCOCC5

DOS

IR

Vibrations