Geometry & MOs

Info

ID:	361407
PubChem CID:	127303273
Reduced:	SN6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	91.06
Dipole, Da:	5.37
IP(EA), eV:	-8.5(-0.64)
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)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3

DOS

IR

Vibrations