Geometry & MOs

Info

ID:	361387
PubChem CID:	127303253
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	45.48
Dipole, Da:	8.86
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)piperidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)C4=CC5=C(S4)C6=CC=CC=C6OC5

DOS

IR

Vibrations