Geometry & MOs

Info

ID:	254402
PubChem CID:	103125019
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	294.057532
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	2.78
IP(EA), eV:	-8.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C=CNC2=O)C

DOS

IR

Vibrations