Geometry & MOs

Info

ID:	264441
PubChem CID:	103461989
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	3.23
IP(EA), eV:	-9.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylbutyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=CC(=CN=C1)O

DOS

IR

Vibrations