Geometry & MOs

Info

ID:	67675
PubChem CID:	46506944
Reduced:	O3N6H26C28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	292.036318
ΔH_f, kcal/mol:	42.33
Dipole, Da:	9.25
IP(EA), eV:	-8.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3C=C(N=C3)C4=NC(=NO4)C5=CC=C(C=C5)C

DOS

IR

Vibrations