Geometry & MOs

Info

ID:	361381
PubChem CID:	127303247
Reduced:	ClON4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	342.088353
ΔH_f, kcal/mol:	24.51
Dipole, Da:	9.5
IP(EA), eV:	-9.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-benzofuran-2-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations