Geometry & MOs

Info

ID:	67676
PubChem CID:	46506946
Reduced:	ClO3N4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	264.045882
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	5.58
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations