Geometry & MOs

Info

ID:	181956
PubChem CID:	76820549
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	296.09094
ΔH_f, kcal/mol:	-38.13
Dipole, Da:	6.54
IP(EA), eV:	-9.69(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-8-methylidene-4-oxo-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCC1C2=NC=C3N2C4=CC(=C5CC5)C(=CC4=NC3=O)C(=O)O

DOS

IR

Vibrations