Geometry & MOs

Info

ID:	362238
PubChem CID:	127307251
Reduced:	OSF3N6C13H13 (1)
Stoich.:	ABC3D6E13F13 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	11.09
IP(EA), eV:	-9.76(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)NC4=NC(=CS4)C(F)(F)F

DOS

IR

Vibrations