Geometry & MOs

Info

ID:	198396
PubChem CID:	79095012
Reduced:	BrON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	82.63
Dipole, Da:	5.7
IP(EA), eV:	-9.54(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CN(C(CN1)C#N)CC2=NN=C(O2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations