Geometry & MOs

Info

ID:	355385
PubChem CID:	127288448
Reduced:	OS2N6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	57.69
Dipole, Da:	8.69
IP(EA), eV:	-9.53(-1.57)
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-(pyridin-3-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CSC3=NN=CS3

DOS

IR

Vibrations