Geometry & MOs

Info

ID:	68069
PubChem CID:	46507706
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	333.122575
ΔH_f, kcal/mol:	19.29
Dipole, Da:	9.15
IP(EA), eV:	-8.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NNC(=S)C=C3

DOS

IR

Vibrations