Geometry & MOs

Info

ID:	292809
PubChem CID:	117359217
Reduced:	NOH3C4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	243.075625
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	9.01
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-1H-pyrazol-4-yl)-1,4-dihydroquinoxaline-2,3-dione

Drug info:

PubChemData

Smile

CN1C=NC2=C(C=CC=C21)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations