Geometry & MOs

Info

ID:	67667
PubChem CID:	46506925
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	258.07529
ΔH_f, kcal/mol:	-32.62
Dipole, Da:	5.66
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C=CN3C(=NNC3=O)C2=O

DOS

IR

Vibrations