Geometry & MOs

Info

ID:	67699
PubChem CID:	46506998
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	274.052447
ΔH_f, kcal/mol:	12.62
Dipole, Da:	5.19
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyphenyl)-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)NC1=S

DOS

IR

Vibrations