Geometry & MOs

Info

ID:	356529
PubChem CID:	127291676
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	270.159295
ΔH_f, kcal/mol:	109.5
Dipole, Da:	4.92
IP(EA), eV:	-9.3(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-[(2-methylpyrimidin-5-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations