Geometry & MOs

Info

ID:	360276
PubChem CID:	127300919
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	369.137179
ΔH_f, kcal/mol:	19.34
Dipole, Da:	9.84
IP(EA), eV:	-8.76(-0.51)
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-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=C(C=C3)CN4CCSCC4

DOS

IR

Vibrations