Geometry & MOs

Info

ID:	355388
PubChem CID:	127288451
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	344.116778
ΔH_f, kcal/mol:	10.52
Dipole, Da:	9.56
IP(EA), eV:	-9.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations