Geometry & MOs

Info

ID:	356497
PubChem CID:	127291644
Reduced:	ON8C19H20 (1)
Stoich.:	AB8C19D20 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	113.2
Dipole, Da:	3.75
IP(EA), eV:	-9.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3CN4CCN5C(=NN=C5C6CC6)C4

DOS

IR

Vibrations