Geometry & MOs

Info

ID:	67668
PubChem CID:	46506926
Reduced:	O3N4H10C12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	258.07529
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	5.34
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyphenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN3C(=NNC3=O)C2=O

DOS

IR

Vibrations