Geometry & MOs

Info

ID:	355382
PubChem CID:	127288443
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-83.62
Dipole, Da:	9.08
IP(EA), eV:	-9.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3COCCO3

DOS

IR

Vibrations