Geometry & MOs

Info

ID:	355378
PubChem CID:	127288439
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	349.16848
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	9.35
IP(EA), eV:	-9.57(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C(C)(C)C

DOS

IR

Vibrations