Geometry & MOs

Info

ID:	356513
PubChem CID:	127291660
Reduced:	F2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	4.74
IP(EA), eV:	-9.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC4=NC=CN4C(F)F

DOS

IR

Vibrations