Geometry & MOs

Info

ID:	355381
PubChem CID:	127288442
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	8.99
IP(EA), eV:	-9.62(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations