Geometry & MOs

Info

ID:	361377
PubChem CID:	127303243
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	54.99
Dipole, Da:	9.0
IP(EA), eV:	-9.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=CC=C2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations