Geometry & MOs

Info

ID:	356499
PubChem CID:	127291646
Reduced:	OSN8C17H18 (1)
Stoich.:	ABC8D17E18 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	119.1
Dipole, Da:	3.45
IP(EA), eV:	-9.38(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-[(1-methylimidazol-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CN4CCN5C(=NN=C5C6CC6)C4

DOS

IR

Vibrations