Geometry & MOs

Info

ID:	120751
PubChem CID:	50743213
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	6.71
IP(EA), eV:	-9.06(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)CCN1C(=O)C2=C(C3=CC=CC=C3O2)NC1=S

DOS

IR

Vibrations