Geometry & MOs

Info

ID:	424133
PubChem CID:	135121451
Reduced:	BrON3H8C13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	77.27
Dipole, Da:	6.04
IP(EA), eV:	-9.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-1-butyl-3H-quinoxalin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(=COC(=C2C#N)N)C#N)Br

DOS

IR

Vibrations