Geometry & MOs

Info

ID:	361383
PubChem CID:	127303249
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	31.31
Dipole, Da:	10.43
IP(EA), eV:	-9.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations